Glycoside
GD099032
Name:
NoneFormula:
C19H27O4N7ClSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCC[NH+]4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCC[NH+]1CCCCC1)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.98 | Num_heavy_atoms: | 31 |
| TPSA: | 142.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD42154
Formula: C14H18N7ClS
Smiles:
S=C(NCC[NH+]1CCCCC1)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.86 | Num_heavy_atoms: | 22 |
| TPSA: | 80.74 | NumAromaticRings: | 1 |
