Glycoside
GD005394
Name:
KIPUKASIN EFormula:
C20H24O9N2Smiles:
COc1cc(C)c(C(=O)O[C@@H]2[C@H](Cn3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)c(OC)c1Aglycone:
COc1cc(C)c(C(=O)O)c(OC)c1.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.42 | Num_heavy_atoms: | 31 |
| TPSA: | 149.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00607
Formula: C5H6O2N2
Smiles:
Cn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD02489
Formula: C10H12O4
Smiles:
COc1cc(C)c(C(=O)O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
