Glycoside
GD092073
Name:
NoneFormula:
C18H28O4N7SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCC[NH+]4CCCCC4)ncnc32)[C@@H](O)[C@@H]1OAglycone:
S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.53 | Num_heavy_atoms: | 30 |
| TPSA: | 142.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD40197
Formula: C13H19N7S
Smiles:
S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.41 | Num_heavy_atoms: | 21 |
| TPSA: | 80.74 | NumAromaticRings: | 1 |
