Glycoside
GD119108
Name:
1,3-dimethyl-5-oxo-2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)cyclohex-3-ene-1-carboxylic acidFormula:
C19H30O9Smiles:
CC1=CC(=O)CC(C)(C(=O)O)C1CCC(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C(=O)O)C1CCC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47678
Formula: C13H20O4
Smiles:
CC1=CC(=O)CC(C)(C(=O)O)C1CCC(C)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
