Glycoside
GD153139
Name:
2-{[6-hydroxy-4-(5-hydroxy-3-methylpent-3-en-1-yl)-3-(hydroxymethyl)-4a,8,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy}oxane-3,4,5-triolFormula:
C25H42O8Smiles:
CC(=CCO)CCC1=C(CO)CC(OC2OCC(O)C(O)C2O)C2C(C)(C)CC(O)CC12CAglycone:
CC(=CCO)CCC1=C(CO)CC(O)C2C(C)(C)CC(O)CC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.6 | Num_heavy_atoms: | 33 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD60932
Formula: C20H34O4
Smiles:
CC(=CCO)CCC1=C(CO)CC(O)C2C(C)(C)CC(O)CC12C| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
