Glycoside
GD033110
Name:
SINOLIGNAN BFormula:
C33H40O18Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OAglycone:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 724.67 | Num_heavy_atoms: | 51 |
| TPSA: | 261.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD04665
Formula: C21H20O8
Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.38 | Num_heavy_atoms: | 29 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
