Glycoside
GD040424
Name:
[2-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanoneFormula:
C18H19O6N5S2Smiles:
Cc1nc(-c2cnccn2)sc1C(=O)c1cnc(N[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)s1Aglycone:
Cc1nc(-c2cnccn2)sc1C(=O)c1cnc(N)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.51 | Num_heavy_atoms: | 31 |
| TPSA: | 170.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD02058
Formula: C12H9ON5S2
Smiles:
Cc1nc(-c2cnccn2)sc1C(=O)c1cnc(N)s1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.37 | Num_heavy_atoms: | 20 |
| TPSA: | 94.65 | NumAromaticRings: | 3 |
