Glycoside
GD030854
Name:
NoneFormula:
C38H40O18Smiles:
CC(=O)c1c(O)c([C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)c1OAglycone:
CC(=O)c1c(O)cc(O)cc1O.COC(=O)C=Cc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.34 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 784.72 | Num_heavy_atoms: | 56 |
| TPSA: | 310.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD05020
Formula: C8H8O4
Smiles:
CC(=O)c1c(O)cc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
