Glycoside
GD135119
Name:
3,7-dimethyl-6-(3-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}butyl)-2H,3H,3aH,4H,7H,8H,8aH-cyclohepta[b]furan-2-oneFormula:
C21H34O8Smiles:
CC(CCC1=CCC2C(CC1C)OC(=O)C2C)OC1C(CO)OC(O)C(O)C1OAglycone:
CC(O)CCC1=CCC2C(CC1C)OC(=O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.5 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD46416
Formula: C15H24O3
Smiles:
CC(O)CCC1=CCC2C(CC1C)OC(=O)C2C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.35 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
