Glycoside
GD157305
Name:
2-ethyl-6-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C36H60O5Smiles:
CCC(CCC(C)C1CCC2C3=CC=C4CC(OC5OC(CC)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C)C(C)CSugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 7.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 572.87 | Num_heavy_atoms: | 41 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD60853
Formula: C29H48O
Smiles:
CCC(CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
