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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 19 results

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19 results for Pattern / motif query

Cards

Pattern / motif 19 results DB fairmol

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Query interpretation

Pattern registry Vnos: hemiacetal Hemiacetal

Select ID 1269 DB fairmol

OHD_Leishmania_403

ID 1269

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC[C@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail

Select ID 1568 DB fairmol

Z871871932

ID 1568

N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O

Formula: C6H13NO5

MW: 179.17 | LogP: -3.25

TPSA: 116.17

Patterns:

Hemiacetal

Detail

Select ID 2610 DB fairmol

OHD_TbNat_137

ID 2610

COC(=O)C1=CO[C@H](O)[C@H]2[C@@H](C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

Hemiacetal

Detail

Select ID 3435 DB fairmol

OHD_TbNat_137

ID 3435

COC(=O)C1=CO[C@H](O)[C@@H]2[C@@H](C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

Hemiacetal

Detail

Select ID 3781 DB fairmol

OHD_Leishmania_403

ID 3781

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC[C@H]3C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail

Select ID 3791 DB fairmol

OHD_Leishmania_402

ID 3791

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail

Select ID 4019 DB fairmol

OHD_Leishmania_404

ID 4019

CC1=C[C@](O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O

Formula: C30H42O4

MW: 466.66 | LogP: 6.30

TPSA: 63.60

Patterns:

Hemiacetal

Detail

Select ID 4110 DB fairmol

OHD_Leishmania_245

ID 4110

C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)[C@H](O)[C@H](O)OC(C)(C)[C@H]21

Formula: C15H24O6

MW: 300.35 | LogP: 0.04

TPSA: 96.22

Patterns:

Hemiacetal

Detail

Select ID 4128 DB fairmol

Z871871932

ID 4128

N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O

Formula: C6H13NO5

MW: 179.17 | LogP: -3.25

TPSA: 116.17

Patterns:

Hemiacetal

Detail

Select ID 4248 DB fairmol

Z2691943589

ID 4248

CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O

Formula: C14H24N2O7

MW: 332.35 | LogP: -2.93

TPSA: 129.51

Patterns:

Hemiacetal

Detail

Select ID 4406 DB fairmol

OHD_TbNat_137

ID 4406

COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

Hemiacetal

Detail

Select ID 4619 DB fairmol

OHD_Leishmania_402

ID 4619

CC1=C[C@@](O)(C[C@@H](C)[C@@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail

Select ID 4787 DB fairmol

OHD_Leishmania_402

ID 4787

CC1=C[C@@](O)(C[C@@H](C)[C@@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail

Select ID 4804 DB fairmol

OHD_Leishmania_404

ID 4804

CC1=C[C@@](O)(C[C@@H](C)[C@@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O

Formula: C30H42O4

MW: 466.66 | LogP: 6.30

TPSA: 63.60

Patterns:

Hemiacetal

Detail

Select ID 4807 DB fairmol

OHD_Leishmania_403

ID 4807

CC1=C[C@@](O)(C[C@@H](C)[C@@]2(C)CC[C@H]3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail

Select ID 5278 DB fairmol

OHD_Leishmania_403

ID 5278

CC1=C[C@@](O)(C[C@H](C)[C@]2(C)CC[C@H]3C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail

Select ID 5453 DB fairmol

OHD_TbNat_137

ID 5453

COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

Hemiacetal

Detail

Select ID 5546 DB fairmol

OHD_Leishmania_402

ID 5546

CC1=C[C@@](O)(C[C@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail

Select ID 5565 DB fairmol

OHD_Leishmania_403

ID 5565

CC1=C[C@@](O)(C[C@H](C)[C@@]2(C)CC[C@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Hemiacetal

Detail