Glycoside
GD143326
Name:
Kipukasin HFormula:
C18H20O9N2Smiles:
COc1cc(O)cc(C)c1C(=O)OC1C(O)C(CO)OC1n1ccc(O)nc1=OAglycone:
COc1cc(O)cc(C)c1C(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.36 | Num_heavy_atoms: | 29 |
| TPSA: | 160.57 | 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 |
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 |
