Glycoside
GD096402
Name:
NoneFormula:
C19H30O5N7SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCCC[NH+]3CCOCC3)ncnc21Aglycone:
S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.56 | Num_heavy_atoms: | 32 |
| TPSA: | 140.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD40474
Formula: C13H19ON7S
Smiles:
S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 321.41 | Num_heavy_atoms: | 22 |
| TPSA: | 89.97 | NumAromaticRings: | 1 |
