Glycoside
GD145933
Name:
{[(4-methanesulfinyl-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonic acidFormula:
C11H21O10NS3Smiles:
CS(=O)CCCC(=NOS(=O)(=O)O)SC1OC(O)C(O)C(O)C1COAglycone:
CS(=O)CCCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 423.49 | Num_heavy_atoms: | 25 |
| TPSA: | 183.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD56500
Formula: C5H11O5NS3
Smiles:
CS(=O)CCCC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 261.35 | Num_heavy_atoms: | 14 |
| TPSA: | 93.03 | NumAromaticRings: | 0 |
