Glycoside
GD029230
Name:
NoneFormula:
C23H26O4N10SSmiles:
Cn1cc(CCNC(=O)CSc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CN=[N+]=[N-])[C@H](O)[C@H]2O)c2ccccc21Aglycone:
Cn1cc(CCNC(=O)CSC2=Nc3c(N)ncnc3[N]2)c2ccccc21Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.59 | Num_heavy_atoms: | 38 |
| TPSA: | 202.1 | NumAromaticRings: | 4 |
Unique Aglycone
AD19038
Formula: C18H18ON7S
Smiles:
Cn1cc(CCNC(=O)CSC2=Nc3c(N)ncnc3[N]2)c2ccccc21| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.46 | Num_heavy_atoms: | 27 |
| TPSA: | 112.29 | NumAromaticRings: | 3 |
