Glycoside
GD006056
Name:
NoneFormula:
C36H44O20Smiles:
O=C(C=Cc1ccc(O[C@H]2O[C@@H](COC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@H]2O)cc1)OC[C@@H]1OC(O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -3.98 | Num_rotatable_bonds: | 13 |
| MolWt: | 796.73 | Num_heavy_atoms: | 56 |
| TPSA: | 321.28 | NumAromaticRings: | 2 |
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 |
