Glycoside
GD146787
Name:
Bidenlignaside AFormula:
C26H32O12Smiles:
COc1cc(C(=O)CC(O)c2cc(C=CCO)cc(OC)c2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(=O)CC(O)c2cc(C=CCO)cc(OC)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD58834
Formula: C20H22O7
Smiles:
COc1cc(C(=O)CC(O)c2cc(C=CCO)cc(OC)c2O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
