Glycoside
GD005080
Name:
NoneFormula:
C12H14O4N3SBrSmiles:
CSc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CSc1ncnc2c1C(Br)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.23 | Num_heavy_atoms: | 21 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD04348
Formula: C7H5N3SBr
Smiles:
CSc1ncnc2c1C(Br)=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 243.11 | Num_heavy_atoms: | 12 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
