Glycoside
GD046721
Name:
NoneFormula:
C13H18O5N2SSmiles:
OC[C@H](O)[C@H](O)[C@H](O)[C@]1(CO)NN=C(c2ccccc2)S1Aglycone:
OCC1NN=C(c2ccccc2)S1Sugarmoiety:
OCOOC(O)C(O)COOther 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
AD25399
Formula: C9H10ON2S
Smiles:
OCC1NN=C(c2ccccc2)S1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.26 | Num_heavy_atoms: | 13 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
