Glycoside
GD038815
Name:
n-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}ethyl)amino}acetamideFormula:
C17H26O11N2SSmiles:
COc1ccc(S(=O)(=O)N(CCO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)CC(=O)NO)cc1Aglycone:
COc1ccc(S(=O)(=O)N(CCO)CC(=O)NO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 466.47 | Num_heavy_atoms: | 31 |
| TPSA: | 195.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD15099
Formula: C11H16O6N2S
Smiles:
COc1ccc(S(=O)(=O)N(CCO)CC(=O)NO)cc1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 304.32 | Num_heavy_atoms: | 20 |
| TPSA: | 116.17 | NumAromaticRings: | 1 |
