Glycoside
GD141273
Name:
Kwansonine BFormula:
C16H26O10N2Smiles:
C=CC(=CN=C(O)C(O)CC(NCC1(O)OCC(O)C(O)C1O)C(=O)O)COAglycone:
C=CC(=CN=C(O)C(O)CC(NC)C(=O)O)COSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 406.39 | Num_heavy_atoms: | 28 |
| TPSA: | 212.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD56928
Formula: C11H18O5N2
Smiles:
C=CC(=CN=C(O)C(O)CC(NC)C(=O)O)CO| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 122.38 | NumAromaticRings: | 0 |
