Glycoside
GD127201
Name:
Javanicoside KFormula:
C34H48O17Smiles:
COC(=O)C12OCC34C(CC5C(C)=CC(OC6OC(CO)C(O)C(O)C6O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)O)C24Aglycone:
COC(=O)C12OCC34C(CC5C(C)=CC(O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)O)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 728.74 | Num_heavy_atoms: | 51 |
| TPSA: | 268.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD51504
Formula: C28H38O12
Smiles:
COC(=O)C12OCC34C(CC5C(C)=CC(O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)O)C24| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 566.6 | Num_heavy_atoms: | 40 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
