| ID | 2919 |
| Name | Pavezan |
| Pubchem ID | 83892 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 1160.34 |
| Exact mass | 1159.57158 |
| Molecular formula | C63H85NO19 |
| XlogP | N/A |
| Topological Polar Surface Area | 308 |
| H-Bond Donor | 8 |
| H-Bond Acceptor | 20 |
| Rotational Bond Count | 13 |
| IUPAC Name | (2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-3,4-dihydroxyoxane-2-carboxylic acid;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5CC(C(C(C5O)O)O)C(=O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
| Isomeric SMILE | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@@H]7C[C@@H]([C@H]([C@@H]([C@H]7O)O)O)C(=O)O)C)(C)C(=O)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |