Glycoside
GD142595
Name:
2,6-Dimethylbenzoic Acid; β-D-Glucopyranosyl EsterFormula:
C15H20O7Smiles:
Cc1cccc(C)c1C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1cccc(C)c1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.32 | Num_heavy_atoms: | 22 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD57380
Formula: C9H10O2
Smiles:
Cc1cccc(C)c1C(=O)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
