Glycoside
GD131600
Name:
2-({4-[3,5-dihydroxy-2-(hydroxymethyl)-2,6-dimethylcyclohexyl]but-3-en-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H34O9Smiles:
CC(C=CC1C(C)C(O)CC(O)C1(C)CO)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C=CC1C(C)C(O)CC(O)C1(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.47 | Num_heavy_atoms: | 28 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD53306
Formula: C13H24O4
Smiles:
CC(O)C=CC1C(C)C(O)CC(O)C1(C)CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.33 | Num_heavy_atoms: | 17 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
