Glycoside
GD118031
Name:
methyl 3-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoateFormula:
C16H22O9Smiles:
COC(=O)CCc1ccc(O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CCc1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD47142
Formula: C10H12O4
Smiles:
COC(=O)CCc1ccc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
