Glycoside
GD129796
Name:
3,5-dimethoxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]benzoic acidFormula:
C14H18O9Smiles:
COc1cc(C(=O)O)cc(OC)c1OC1OCC(O)C(O)C1OAglycone:
COc1cc(C(=O)O)cc(OC)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.29 | Num_heavy_atoms: | 23 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD16068
Formula: C9H10O5
Smiles:
COc1cc(C(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.17 | Num_heavy_atoms: | 14 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
