Glycoside
GD135728
Name:
Ajureptaside AFormula:
C18H30O13Smiles:
COC1OC(OC2OC(CO)C(O)C(O)C2O)C2C(C)(OC(C)=O)CC(O)C2(O)C1OAglycone:
COC1OC(O)C2C(C)(OC(C)=O)CC(O)C2(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.43 | Num_heavy_atoms: | 31 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD54879
Formula: C12H20O8
Smiles:
COC1OC(O)C2C(C)(OC(C)=O)CC(O)C2(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 292.28 | Num_heavy_atoms: | 20 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
