Glycoside
GD124138
Name:
Inflexuside AFormula:
C26H42O9Smiles:
CC(C)C1(O)CC2=C(C(O)C1)C1(C)C(OC3OC(CO)C(O)C(O)C3O)CCC(C)(C)C1CC2=OAglycone:
CC(C)C1(O)CC2=C(C(O)C1)C1(C)C(O)CCC(C)(C)C1CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50127
Formula: C20H32O4
Smiles:
CC(C)C1(O)CC2=C(C(O)C1)C1(C)C(O)CCC(C)(C)C1CC2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
