Glycoside
GD062617
Name:
3-(2-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acidFormula:
C16H22O9Smiles:
COc1c(CCC(=O)O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
COc1c(O)cccc1CCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD30347
Formula: C10H12O4
Smiles:
COc1c(O)cccc1CCC(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
