Glycoside
GD120532
Name:
Kipukasin EFormula:
C19H22O9N2Smiles:
COc1cc(C)c(C(=O)OC2C(O)C(CO)OC2n2ccc(O)nc2=O)c(OC)c1Aglycone:
COc1cc(C)c(C(=O)O)c(OC)c1.O=c1nc(O)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 149.57 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
