Glycoside
GD114785
Name:
AgnusideFormula:
C22H26O10Smiles:
O=C(OCC1=CCC2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1Aglycone:
O=C(OCC1=CCC2C=COC(O)C12)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD45281
Formula: C16H16O5
Smiles:
O=C(OCC1=CCC2C=COC(O)C12)c1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
