Glycoside
GD128113
Name:
4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,3-benzodioxol-5-yl)methylidene]oxolan-2-oneFormula:
C27H30O12Smiles:
COc1ccc(CC2COC(=O)C2=Cc2ccc3c(c2OC2OC(CO)C(O)C(O)C2O)OCO3)cc1OCAglycone:
COc1ccc(CC2COC(=O)C2=Cc2ccc3c(c2O)OCO3)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD51896
Formula: C21H20O7
Smiles:
COc1ccc(CC2COC(=O)C2=Cc2ccc3c(c2O)OCO3)cc1OC| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
