Glycoside
GD026349
Name:
NoneFormula:
C16H26O7N10SSmiles:
N=C(N)NCCC[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CCCNC(=N)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -4.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 502.51 | Num_heavy_atoms: | 34 |
| TPSA: | 279.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD17373
Formula: C7H17O4N5S
Smiles:
COS(=O)(=O)NC(=O)C(N)CCCNC(=N)N| HBA: | 9 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 267.31 | Num_heavy_atoms: | 17 |
| TPSA: | 160.39 | NumAromaticRings: | 0 |
