Glycoside
GD099029
Name:
NoneFormula:
C19H30O4N7SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCC[NH+]3CCCCC3)ncnc21Aglycone:
S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.56 | Num_heavy_atoms: | 31 |
| TPSA: | 131.02 | 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 |
