Glycoside
GD137411
Name:
6-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-3,7-dimethyl-2H,3H,3aH,4H,7H,8H,8aH-cyclohepta[b]furan-2-oneFormula:
C21H34O9Smiles:
CC(O)CC(OC1OC(CO)C(O)C(O)C1O)C1=CCC2C(CC1C)OC(=O)C2CAglycone:
CC(O)CC(O)C1=CCC2C(CC1C)OC(=O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55517
Formula: C15H24O4
Smiles:
CC(O)CC(O)C1=CCC2C(CC1C)OC(=O)C2C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
