Glycoside
GD033368
Name:
NoneFormula:
C19H19O4N10ClSSmiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NCc3ccnc(Cl)c3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCc1ccnc(Cl)c1)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.94 | Num_heavy_atoms: | 34 |
| TPSA: | 210.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD21300
Formula: C14H11ON7ClS
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCc1ccnc(Cl)c1)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.8 | Num_heavy_atoms: | 23 |
| TPSA: | 120.25 | NumAromaticRings: | 2 |
