Glycoside
GD119891
Name:
WellosideFormula:
C31H40O18Smiles:
COc1cc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CC(=O)OC2C3C=COC(O)C3C3(CO)OC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -4.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 700.64 | Num_heavy_atoms: | 49 |
| TPSA: | 276.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD04098
Formula: C19H20O8
Smiles:
COc1cc(C=CC(=O)OC2C3C=COC(O)C3C3(CO)OC23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 1 |
