Glycoside
GD085591
Name:
3-(4-methyl-1,3-thiazol-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C19H19O8NSSmiles:
Cc1csc(-c2coc3cc(O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)ccc3c2=O)n1Aglycone:
Cc1csc(-c2coc3cc(O)ccc3c2=O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 421.43 | Num_heavy_atoms: | 29 |
| TPSA: | 142.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD14347
Formula: C13H9O3NS
Smiles:
Cc1csc(-c2coc3cc(O)ccc3c2=O)n1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 259.29 | Num_heavy_atoms: | 18 |
| TPSA: | 63.33 | NumAromaticRings: | 3 |
