Glycoside
GD114971
Name:
Lavaudioside BFormula:
C31H40O18Smiles:
C=C1C(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)C12Aglycone:
C=C1C(OC(=O)C=Cc2ccc(O)c(O)c2)CC2C(C=O)=COC(O)C12Sugarmoiety:
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: | 0.55 |
| AlogP: | -3.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 700.64 | Num_heavy_atoms: | 49 |
| TPSA: | 302.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD45391
Formula: C19H18O7
Smiles:
C=C1C(OC(=O)C=Cc2ccc(O)c(O)c2)CC2C(C=O)=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
