Glycoside
GD156707
Name:
Forsythenside BFormula:
C22H26O11Smiles:
O=C1C=CC(O)(CCOC2OC(COC(=O)CC3(O)C=CC(=O)C=C3)C(O)C(O)C2O)C=C1Aglycone:
COC(=O)CC1(O)C=CC(=O)C=C1.O=C1C=CC(O)(CCO)C=C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD08699
Formula: C9H10O4
Smiles:
COC(=O)CC1(O)C=CC(=O)C=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD12613
Formula: C8H10O3
Smiles:
O=C1C=CC(O)(CCO)C=C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.17 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
