Glycoside
GD128365
Name:
Kipukasin JFormula:
C20H22O10N2Smiles:
CC(=O)OC1C(OC(=O)c2c(C)cc(O)cc2O)C(CO)OC1n1ccc(=O)n(C)c1=OAglycone:
Cc1cc(O)cc(O)c1C(=O)O.Cn1c(=O)cc[nH]c1=OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 166.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD03792
Formula: C5H6O2N2
Smiles:
Cn1c(=O)cc[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 |
AD13208
Formula: C8H8O4
Smiles:
Cc1cc(O)cc(O)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
