Glycoside
GD144651
Name:
ScabrosideFormula:
C15H22O10Smiles:
CC1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3OC3C(O)C12OAglycone:
CC1=COC(O)C2C3OC3C(O)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -3.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.33 | Num_heavy_atoms: | 25 |
| TPSA: | 161.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD58114
Formula: C9H12O5
Smiles:
CC1=COC(O)C2C3OC3C(O)C12O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
