Glycoside
GD023231
Name:
NoneFormula:
C34H38O17Smiles:
CC(=O)Oc1ccc(C=CC(=O)OC[C@@H]2O[C@@](CO)(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)C=Cc3ccc(OC(C)=O)cc3)[C@H]2O)cc1Aglycone:
CC(=O)Oc1ccc(C=CC(=O)O)cc1.COC(=O)C=Cc1ccc(OC(C)=O)cc1Sugarmoiety:
OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)OC1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 718.66 | Num_heavy_atoms: | 51 |
| TPSA: | 254.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD07617
Formula: C11H10O4
Smiles:
CC(=O)Oc1ccc(C=CC(=O)O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
AD07618
Formula: C12H12O4
Smiles:
COC(=O)C=Cc1ccc(OC(C)=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
