Glycoside
GD146695
Name:
NoneFormula:
C34H42O18Smiles:
CC1CC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
CC1CC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1OSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 738.69 | Num_heavy_atoms: | 52 |
| TPSA: | 298.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD58800
Formula: C22H22O9
Smiles:
CC1CC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 160.82 | NumAromaticRings: | 3 |
