SA3
Summary
| Name: | 2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE |
| Formula: | C26 H21 N3 O9 |
| Formal charge: | 0 |
| Formula weight: | 519.46 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 12-alpha-D-glucopyranosyl-2,10-dihydroxy-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 | 10.04 | O=C2c1c6c(c4c(c1C(=O)N2)c3ccc(O)cc3n4)n(c5cc(O)ccc56)C7OC(C(O)C(O)C7O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)n2c3cc(O)ccc3c4c2c5[nH]c6cc(O)ccc6c5c7C(=O)NC(=O)c47 |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2c3cc(O)ccc3c4c2c5[nH]c6cc(O)ccc6c5c7C(=O)NC(=O)c47 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7C(C(C(C(O7)CO)O)O)O)C(=O)NC4=O |
| InChI | InChI | 1.03 | InChI=1S/C26H21N3O9/c30-7-14-21(33)22(34)23(35)26(38-14)29-13-6-9(32)2-4-11(13)16-18-17(24(36)28-25(18)37)15-10-3-1-8(31)5-12(10)27-19(15)20(16)29/h1-6,14,21-23,26-27,30-35H,7H2,(H,28,36,37)/t14-,21-,22+,23-,26?/m1/s1 |
| InChIKey | InChI | 1.03 | URWNZLQOQBNPOF-FQCBRIBZSA-N |
