Glycoside
GD130668
Name:
4-(methylsulfanyl)-2-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acidFormula:
C11H21O7NSSmiles:
CSCCC(NCC1(O)OC(CO)C(O)C1O)C(=O)OAglycone:
CNC(CCSC)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 311.36 | Num_heavy_atoms: | 20 |
| TPSA: | 139.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD01493
Formula: C6H13O2NS
Smiles:
CNC(CCSC)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
