Glycoside
GD138378
Name:
N-{1-[6-(ethylsulfanyl)-3,4,5-trihydroxyoxan-2-yl]-2-hydroxypropyl}-4-propylpyrrolidine-2-carboximidic acidFormula:
C18H34O6N2SSmiles:
CCCC1CNC(C(O)=NC(C(C)O)C2OC(SCC)C(O)C(O)C2O)C1Aglycone:
CCCC1CNC(C(O)=NCC(C)O)C1Sugarmoiety:
CCSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.55 | Num_heavy_atoms: | 27 |
| TPSA: | 134.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD48255
Formula: C11H22O2N2
Smiles:
CCCC1CNC(C(O)=NCC(C)O)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 214.31 | Num_heavy_atoms: | 15 |
| TPSA: | 64.85 | NumAromaticRings: | 0 |
