Glycoside
GD034339
Name:
NoneFormula:
C33H40O16Smiles:
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 14 |
| MolWt: | 692.67 | Num_heavy_atoms: | 49 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD17567
Formula: C21H20O6
Smiles:
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
