Glycoside
GD077663
Name:
NoneFormula:
C16H17O4N5SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4cccc(S)c4)ncnc32)[C@@H](O)[C@@H]1OAglycone:
Sc1cccc(Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 375.41 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD35545
Formula: C11H8N5S
Smiles:
Sc1cccc(Nc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.29 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
