Glycoside
GD131539
Name:
2-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H58O6Smiles:
CCC(C=CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)CC1CC3)C(C)CAglycone:
CCC(C=CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1CC3)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 5.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 574.84 | Num_heavy_atoms: | 41 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD53286
Formula: C29H48O
Smiles:
CCC(C=CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1CC3)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
