Glycoside
GD130337
Name:
4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxybenzoic acidFormula:
C15H20O9Smiles:
COc1cc(C(=O)O)ccc1OC1OC(CO)C(OC)C(O)C1OAglycone:
COc1cc(C(=O)O)ccc1OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
