Glycoside
GD061286
Name:
NoneFormula:
C13H21O5N3SSmiles:
CC(C)Sc1ccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
CC(C)Sc1ccc(N)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 331.39 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD30092
Formula: C7H11N3S
Smiles:
CC(C)Sc1ccc(N)nn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 169.25 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
