Glycoside
GD155402
Name:
3-(6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,3-benzodioxol-5-yl)prop-2-enoic acidFormula:
C16H18O10Smiles:
O=C(O)C=Cc1cc2c(cc1OC1OC(CO)C(O)C(O)C1O)OCO2Aglycone:
O=C(O)C=Cc1cc2c(cc1O)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.31 | Num_heavy_atoms: | 26 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD61649
Formula: C10H8O5
Smiles:
O=C(O)C=Cc1cc2c(cc1O)OCO2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.17 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
