Glycoside
GD022855
Name:
Patientoside BFormula:
C22H24O10Smiles:
COc1cc(O)c2c(c1)[C@](O)([C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc(C)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(O)c1cc(C)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD14532
Formula: C16H14O5
Smiles:
COc1cc(O)c2c(c1)C(O)c1cc(C)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
