Glycoside
GD140573
Name:
Javanicoside LFormula:
C32H46O16Smiles:
COC(=O)C12OCC34C(CC5C(C)C(O)C(OC6OC(CO)C(O)C(O)C6O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C(O)C(O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 686.7 | Num_heavy_atoms: | 48 |
| TPSA: | 248.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD56678
Formula: C26H36O11
Smiles:
COC(=O)C12OCC34C(CC5C(C)C(O)C(O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
