Glycoside
GD076696
Name:
NoneFormula:
C14H20O5N4S2Smiles:
CO[C@H]1[C@@H](O)[C@H](n2ncc3c(SC)nc(SC)nc32)O[C@@H]1[C@H](O)COAglycone:
CSc1nc2c(c(SC)n1)C=N[N]2Sugarmoiety:
COC1C(O)C(O)OC1C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.47 | Num_heavy_atoms: | 25 |
| TPSA: | 122.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD04189
Formula: C7H7N4S2
Smiles:
CSc1nc2c(c(SC)n1)C=N[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 211.3 | Num_heavy_atoms: | 13 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
