Glycoside
GD086128
Name:
NoneFormula:
C14H16O4N3SBrSmiles:
C=CCSc1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
C=CCSc1ncnc2c1C(Br)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.27 | Num_heavy_atoms: | 23 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD38263
Formula: C9H7N3SBr
Smiles:
C=CCSc1ncnc2c1C(Br)=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 269.15 | Num_heavy_atoms: | 14 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
