Glycoside
GD128463
Name:
4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,3-benzodioxol-5-yl)methylidene]oxolan-2-oneFormula:
C26H28O12Smiles:
COc1cc(CC2COC(=O)C2=Cc2ccc3c(c2OC2OC(CO)C(O)C(O)C2O)OCO3)ccc1OAglycone:
COc1cc(CC2COC(=O)C2=Cc2ccc3c(c2O)OCO3)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD52031
Formula: C20H18O7
Smiles:
COc1cc(CC2COC(=O)C2=Cc2ccc3c(c2O)OCO3)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
