Glycoside
GD157732
Name:
Lavaudioside AFormula:
C31H42O18Smiles:
CC1C(OC(=O)C=Cc2ccc(O)c(O)c2)CC2C(C(=O)OCC(O)C(O)C(O)C(O)CO)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(OC(=O)C=Cc2ccc(O)c(O)c2)CC2C(C=O)=COC(O)C21Sugarmoiety:
OCC(O)C(O)C(O)C(O)COO.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 13 |
| MolWt: | 702.66 | Num_heavy_atoms: | 49 |
| TPSA: | 302.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD50628
Formula: C19H20O7
Smiles:
CC1C(OC(=O)C=Cc2ccc(O)c(O)c2)CC2C(C=O)=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
