Glycoside
GD116200
Name:
Harpagoside BFormula:
C25H32O11Smiles:
COC1CC(C)(OC(=O)C=Cc2ccccc2)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12OAglycone:
COC1CC(C)(OC(=O)C=Cc2ccccc2)C2C(O)OC=CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD46103
Formula: C19H22O6
Smiles:
COC1CC(C)(OC(=O)C=Cc2ccccc2)C2C(O)OC=CC12O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
