Glycoside
GD011671
Name:
NoneFormula:
C31H36O16Smiles:
O=C(C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1)CC(=O)C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)CC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 664.61 | Num_heavy_atoms: | 47 |
| TPSA: | 273.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD08889
Formula: C19H16O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)CC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.05 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.33 | Num_heavy_atoms: | 25 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
