Glycoside
GD013500
Name:
NoneFormula:
C19H22O5N2SSmiles:
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1SC(c2ccccc2)=NN1c1ccccc1Aglycone:
c1ccc(C2=NN(c3ccccc3)CS2)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.46 | Num_heavy_atoms: | 27 |
| TPSA: | 116.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD10065
Formula: C14H12N2S
Smiles:
c1ccc(C2=NN(c3ccccc3)CS2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.33 | Num_heavy_atoms: | 17 |
| TPSA: | 15.6 | NumAromaticRings: | 2 |
