Glycoside
GD114294
Name:
2-({1-[7-hydroxy-5-(propan-2-yl)heptan-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)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H60O7Smiles:
CC(C)C(CCO)CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)C(CCO)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 592.86 | Num_heavy_atoms: | 42 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD44965
Formula: C29H50O2
Smiles:
CC(C)C(CCO)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 7.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.72 | Num_heavy_atoms: | 31 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
