Glycoside
GD021774
Name:
NoneFormula:
C13H14O6N2SSmiles:
O=c1[nH]c(=O)n(C2O[C@H](CO)[C@H](O)[C@H]2O)cc1-c1cccs1Aglycone:
O=c1[nH]cc(-c2cccs2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.33 | Num_heavy_atoms: | 22 |
| TPSA: | 124.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD12545
Formula: C8H6O2N2S
Smiles:
O=c1[nH]cc(-c2cccs2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.21 | Num_heavy_atoms: | 13 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
