Glycoside
GD006153
Name:
NoneFormula:
C21H22O4N9ClSSmiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NCCc3cccc(Cl)c3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1cccc(Cl)c1)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 519.98 | Num_heavy_atoms: | 35 |
| TPSA: | 197.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD05117
Formula: C16H14ON6ClS
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1cccc(Cl)c1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 361.84 | Num_heavy_atoms: | 24 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
