Glycoside
GD061093
Name:
NoneFormula:
C13H17O5N3SSmiles:
Cc1cc2c(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)ncnc2s1Aglycone:
Cc1cc2c(N)ncnc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.36 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD27911
Formula: C7H7N3S
Smiles:
Cc1cc2c(N)ncnc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.22 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
