Glycoside
GD013116
Name:
NoneFormula:
C14H16O5N6SSmiles:
CSc1nc(O)c2c3c(N)ncnc3n(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CSc1nc(O)c2c(n1)[N]c1ncnc(N)c1-2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.39 | Num_heavy_atoms: | 26 |
| TPSA: | 172.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD09831
Formula: C9H7ON6S
Smiles:
CSc1nc(O)c2c(n1)[N]c1ncnc(N)c1-2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 247.26 | Num_heavy_atoms: | 17 |
| TPSA: | 111.91 | NumAromaticRings: | 2 |
