Glycoside
GD012226
Name:
SCORZODIHYDROSTILBENE EFormula:
C46H54O20Smiles:
COc1cc(CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2C(C)=O)cc(-c2cc(CCc3c(O)ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3C(C)=O)cc(OC)c2O)c1OAglycone:
COc1cc(CCc2c(O)ccc(O)c2C(C)=O)cc(-c2cc(CCc3c(O)ccc(O)c3C(C)=O)cc(OC)c2O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.43 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 17 |
| MolWt: | 926.92 | Num_heavy_atoms: | 66 |
| TPSA: | 332.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD09232
Formula: C34H34O10
Smiles:
COc1cc(CCc2c(O)ccc(O)c2C(C)=O)cc(-c2cc(CCc3c(O)ccc(O)c3C(C)=O)cc(OC)c2O)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 5.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 602.64 | Num_heavy_atoms: | 44 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
