Glycoside
GD155226
Name:
4-(1,2,2-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopentyl)benzoic acidFormula:
C21H30O8Smiles:
CC1(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)c1ccc(C(=O)O)cc1Aglycone:
CC1(C)CC(O)CC1(C)c1ccc(C(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD61584
Formula: C15H20O3
Smiles:
CC1(C)CC(O)CC1(C)c1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
