Glycoside
GD144534
Name:
2-{[3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxybenzoic acidFormula:
C17H20O11Smiles:
CC(=O)OC1C(Oc2cccc(O)c2C(=O)O)OC(CO)C(O)C1OC(C)=OAglycone:
O=C(O)c1c(O)cccc1OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.34 | Num_heavy_atoms: | 28 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD45909
Formula: C7H6O4
Smiles:
O=C(O)c1c(O)cccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
