Glycoside
GD093885
Name:
NoneFormula:
C18H28O5N7SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCC[NH+]4CCOCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.53 | Num_heavy_atoms: | 31 |
| TPSA: | 151.25 | 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 |
