Glycoside
GD077861
Name:
NoneFormula:
C15H15O4N6ClSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCc4cnc(Cl)s4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Clc1ncc(CNc2ncnc3c2N=C[N]3)s1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.83 | Num_heavy_atoms: | 26 |
| TPSA: | 138.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD35668
Formula: C10H6N6ClS
Smiles:
Clc1ncc(CNc2ncnc3c2N=C[N]3)s1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.71 | Num_heavy_atoms: | 17 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
