Glycoside
GD138085
Name:
Piscroside AFormula:
C24H29O13ClSmiles:
COc1cc(C(=O)OC2C3CC4OCC(O)(C2Cl)C3C(OC2OC(CO)C(O)C(O)C2O)O4)ccc1OAglycone:
COc1cc(C(=O)OC2C3CC4OCC(O)(C2Cl)C3C(O)O4)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.93 | Num_heavy_atoms: | 37 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD55757
Formula: C18H19O8Cl
Smiles:
COc1cc(C(=O)OC2C3CC4OCC(O)(C2Cl)C3C(O)O4)ccc1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.78 | Num_heavy_atoms: | 26 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
