Glycoside
GD046807
Name:
NoneFormula:
C13H18O5N2SSmiles:
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1NN=C(c2ccccc2)S1Aglycone:
c1ccc(C2=NNCS2)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 314.36 | Num_heavy_atoms: | 21 |
| TPSA: | 125.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD25257
Formula: C8H8N2S
Smiles:
c1ccc(C2=NNCS2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.23 | Num_heavy_atoms: | 11 |
| TPSA: | 24.39 | NumAromaticRings: | 1 |
