Glycoside
GD154280
Name:
Bidenlignaside BFormula:
C26H34O12Smiles:
COc1cc(C(O)CC(O)c2cc(C=CCOC3OC(CO)C(O)C(O)C3O)cc(OC)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: | 8 | FractionCSP3: | 0.46 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD61297
Formula: C20H24O7
Smiles:
COc1cc(C(O)CC(O)c2cc(C=CCO)cc(OC)c2O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
