Glycoside
GD011902
Name:
NoneFormula:
C41H42O22N2Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](NC(=O)OCc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c([N+](=O)[O-])c2)[C@H](O)[C@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 12 |
| MolWt: | 914.78 | Num_heavy_atoms: | 65 |
| TPSA: | 377.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD06652
Formula: C35H34O16N2
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 738.66 | Num_heavy_atoms: | 53 |
| TPSA: | 281.75 | NumAromaticRings: | 3 |
