Glycoside
GD154647
Name:
2-{[8-(5-ethyl-6-methylheptan-2-yl)-4a,6a-dimethyl-octadecahydrochrysen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H64O6Smiles:
CCC(CCC(C)C1CCC2C3CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC2(C)C1)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.9 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD61400
Formula: C30H54O
Smiles:
CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC2(C)C1)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 8.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.76 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
