Glycoside
GD022630
Name:
UNCINOSIDE AFormula:
C18H22O9Smiles:
Cc1cc(=O)c2c(O)c(C)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(C)c2o1Aglycone:
Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.37 | Num_heavy_atoms: | 27 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD15321
Formula: C12H12O4
Smiles:
Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
