Glycoside
GD127606
Name:
2-{[6-(5-ethyl-6-methylheptan-2-yl)-7,11-dimethylpentacyclo[8.8.0.0¹,â¹.0³,â·.0¹¹,¹â¶]octadec-16-en-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H60O6Smiles:
CCC(CCC(C)C1CCC2CC34CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C3C4CC21C)C(C)CAglycone:
CCC(CCC(C)C1CCC2CC34CC=C5CC(O)CCC5(C)C3C4CC21C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 588.87 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD51676
Formula: C30H50O
Smiles:
CCC(CCC(C)C1CCC2CC34CC=C5CC(O)CCC5(C)C3C4CC21C)C(C)C| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.73 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
