Glycoside
GD142387
Name:
1-(5-hydroxy-3-methylpent-3-en-1-yl)-5,8a-dimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehydeFormula:
C26H42O8Smiles:
CC(=CCO)CCC1=C(C=O)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12CAglycone:
CC(=CCO)CCC1=C(C=O)CCC2C(C)(CO)CCCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.61 | Num_heavy_atoms: | 34 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD57301
Formula: C20H32O3
Smiles:
CC(=CCO)CCC1=C(C=O)CCC2C(C)(CO)CCCC12C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
