Glycoside
GD009330
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl benzoateFormula:
C13H16O7Smiles:
O=C(OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
