Glycoside
GD142336
Name:
2-{[4-(5-hydroxy-3-methylpent-3-en-1-yl)-3,8-bis(hydroxymethyl)-4a,8-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy}oxane-3,4,5-triolFormula:
C25H42O8Smiles:
CC(=CCO)CCC1C(CO)=CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12CAglycone:
CC(=CCO)CCC1C(CO)=CC(O)C2C(C)(CO)CCCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.6 | Num_heavy_atoms: | 33 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD57283
Formula: C20H34O4
Smiles:
CC(=CCO)CCC1C(CO)=CC(O)C2C(C)(CO)CCCC12C| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
