Glycoside
GD010762
Name:
KIPUKASIN GFormula:
C20H24O9N2Smiles:
COc1cc(O)cc(C)c1C(=O)O[C@H]1[C@H](CO)O[C@@H](Cn2ccc(=O)n(C)c2=O)[C@H]1OAglycone:
COc1cc(O)cc(C)c1C(=O)O.Cn1ccc(=O)n(C)c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.42 | Num_heavy_atoms: | 31 |
| TPSA: | 149.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD08265
Formula: C9H10O4
Smiles:
COc1cc(O)cc(C)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD08266
Formula: C6H8O2N2
Smiles:
Cn1ccc(=O)n(C)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 44.0 | NumAromaticRings: | 1 |
