Glycoside
GD028623
Name:
NoneFormula:
C19H26O5N2SSmiles:
CC(C)(C)c1nnc(Cc2cccc(C3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)s1Aglycone:
CC(C)(C)c1nnc(Cc2ccccc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.49 | Num_heavy_atoms: | 27 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD18682
Formula: C13H16N2S
Smiles:
CC(C)(C)c1nnc(Cc2ccccc2)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.35 | Num_heavy_atoms: | 16 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
