Glycoside
GD133042
Name:
(3,4,5-trihydroxyoxolan-3-yl)methyl 4-hydroxybenzoateFormula:
C12H14O7Smiles:
O=C(OCC1(O)COC(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.24 | Num_heavy_atoms: | 19 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
