Glycoside
GD032315
Name:
NoneFormula:
C31H36O11Smiles:
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 12 |
| MolWt: | 584.62 | Num_heavy_atoms: | 42 |
| TPSA: | 145.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD20735
Formula: C25H26O6
Smiles:
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 422.48 | Num_heavy_atoms: | 31 |
| TPSA: | 66.38 | NumAromaticRings: | 3 |
