Glycoside
GD102166
Name:
NoneFormula:
C17H20O5N6S2Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3ccc(SC)s3)c(=N)nc21Aglycone:
CSc1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)s1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.52 | Num_heavy_atoms: | 30 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD43236
Formula: C11H9ON6S2
Smiles:
CSc1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)s1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.37 | Num_heavy_atoms: | 20 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
