Glycoside
GD117422
Name:
2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acidFormula:
C15H20O8Smiles:
CC(C(=O)O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(C(=O)O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.32 | Num_heavy_atoms: | 23 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD46812
Formula: C9H10O3
Smiles:
CC(C(=O)O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
