BY9
Summary
| Name: | 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione |
| Synonyms: | rebeccamycin analogue |
| Formula: | C26 H21 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 487.461 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c7c(ccc1)c3c(c5c(c2C(=O)NC(c23)=O)c4ccccc4n5C6OC(C(C(C6O)O)O)CO)n7 |
| InChI | InChI | 1.03 | InChI=1S/C26H21N3O7/c30-9-14-21(31)22(32)23(33)26(36-14)29-13-8-4-2-6-11(13)16-18-17(24(34)28-25(18)35)15-10-5-1-3-7-12(10)27-19(15)20(16)29/h1-8,14,21-23,26-27,30-33H,9H2,(H,28,34,35)/t14-,21-,22+,23-,26-/m1/s1 |
| InChIKey | InChI | 1.03 | FAKJOUAYZNXZGV-QCUUGYDUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7C(=O)NC(=O)c47 |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7C(=O)NC(=O)c47 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)C7C(C(C(C(O7)CO)O)O)O)C(=O)NC4=O |
