Glycoside
GD134296
Name:
methyl 3,4-bis(acetyloxy)-5-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxolane-2-carboxylateFormula:
C39H62O8Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(C(=O)OC)C(OC(C)=O)C5OC(C)=O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.87 |
| AlogP: | 7.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 658.92 | Num_heavy_atoms: | 47 |
| TPSA: | 97.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD01460
Formula: C29H50O
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.72 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
