Glycoside
GD134185
Name:
Javanicoside IFormula:
C32H42O16Smiles:
COC(=O)C12OCC34C(CC5C(C)C=C(OC6OC(CO)C(O)C(O)C6O)C(=O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C=C(O)C(=O)C5(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: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 682.67 | Num_heavy_atoms: | 48 |
| TPSA: | 245.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD54286
Formula: C26H32O11
Smiles:
COC(=O)C12OCC34C(CC5C(C)C=C(O)C(=O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 165.89 | NumAromaticRings: | 0 |
