Glycoside
GD118017
Name:
({[4-(methylsulfanyl)-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]amino}oxy)sulfonic acidFormula:
C11H21O9NS3Smiles:
CSCCCC(=NOS(=O)(=O)O)SC1OC(O)C(O)C(O)C1COAglycone:
CSCCCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 407.49 | Num_heavy_atoms: | 24 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD47130
Formula: C5H11O4NS3
Smiles:
CSCCCC(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 245.35 | Num_heavy_atoms: | 13 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
