Glycoside
GD137992
Name:
2-{[6-hydroxy-4-(5-hydroxy-3-methylpent-3-en-1-yl)-3,8-bis(hydroxymethyl)-4a,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy}oxane-3,4,5-triolFormula:
C25H42O9Smiles:
CC(=CCO)CCC1=C(CO)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CC(O)CC12CAglycone:
CC(=CCO)CCC1=C(CO)CC(O)C2C(C)(CO)CC(O)CC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.6 | Num_heavy_atoms: | 34 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD55721
Formula: C20H34O5
Smiles:
CC(=CCO)CCC1=C(CO)CC(O)C2C(C)(CO)CC(O)CC12C| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.49 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
