Glycoside
GD116562
Name:
2-{[1-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H58O7Smiles:
CCC(CC(O)C(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3=CCC21C)C(C)CAglycone:
CCC(CC(O)C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3=CCC21C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.84 | Num_heavy_atoms: | 42 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD46309
Formula: C29H48O2
Smiles:
CCC(CC(O)C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3=CCC21C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 6.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.7 | Num_heavy_atoms: | 31 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
