Glycoside
GD118079
Name:
Javanicoside JFormula:
C34H40O16Smiles:
COC(=O)C12OCC34C(CC5C(C)=C(OC6OC(CO)C(O)C(O)C6O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)c1ccccc1)C24Aglycone:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)c1ccccc1)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 704.68 | Num_heavy_atoms: | 50 |
| TPSA: | 245.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD47168
Formula: C28H30O11
Smiles:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)c1ccccc1)C24| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 542.54 | Num_heavy_atoms: | 39 |
| TPSA: | 165.89 | NumAromaticRings: | 1 |
