Glycoside
GD137102
Name:
2-{[3,6-dihydroxy-6-(3-hydroxybut-1-en-1-yl)-5,5-dimethylcyclohex-1-en-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H32O9Smiles:
CC(O)C=CC1(O)C(COC2OC(CO)C(O)C(O)C2O)=CC(O)CC1(C)CAglycone:
CC(O)C=CC1(O)C(CO)=CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.46 | Num_heavy_atoms: | 28 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD55404
Formula: C13H22O4
Smiles:
CC(O)C=CC1(O)C(CO)=CC(O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.31 | Num_heavy_atoms: | 17 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
