Glycoside
GD157086
Name:
2-{[1-(5-ethyl-6-methylheptan-2-yl)-9a-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H58O7Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(O)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(O)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.83 | Num_heavy_atoms: | 41 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD62141
Formula: C28H48O2
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(O)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.69 | Num_heavy_atoms: | 30 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
