Glycoside
GD055095
Name:
NoneFormula:
C14H16O6N3ClSmiles:
O=C(C(=O)N1CCc2nc(Cl)ncc2C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Clc1ncc2c(n1)CCNC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.74 | Num_heavy_atoms: | 23 |
| TPSA: | 144.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD27975
Formula: C8H8N3Cl
Smiles:
Clc1ncc2c(n1)CCNC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 169.61 | Num_heavy_atoms: | 11 |
| TPSA: | 37.81 | NumAromaticRings: | 1 |
