Glycoside
GD010950
Name:
NoneFormula:
C46H77O12N5Smiles:
COc1ccc(-c2cn(C[C@@H]3COC(=O)[C@H](C)[C@H](O[C@@H]4C[C@@](C)(OC)[C@H](O)[C@H](C)O4)[C@H](C)[C@H](O[C@@H]4O[C@H](C)C[C@H](N(C)C)[C@H]4O)[C@@](C)(OC)C[C@H](C)[C@H](O)[C@H](C)CN3C)nn2)cc1Aglycone:
COc1ccc(-c2cn(CC3COC(=O)C(C)C(O)C(C)C(OC4OC(C)CC(N(C)C)C4O)C(C)(OC)CC(C)C(O)C(C)CN3C)nn2)cc1Sugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 892.14 | Num_heavy_atoms: | 63 |
| TPSA: | 188.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD08400
Formula: C38H63O9N5
Smiles:
COc1ccc(-c2cn(CC3COC(=O)C(C)C(O)C(C)C(OC4OC(C)CC(N(C)C)C4O)C(C)(OC)CC(C)C(O)C(C)CN3C)nn2)cc1| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 733.95 | Num_heavy_atoms: | 52 |
| TPSA: | 161.1 | NumAromaticRings: | 2 |
