Glycoside
GD116356
Name:
1-ethyl-N-{2-hydroxy-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-4-propylpyrrolidine-2-carboximidic acidFormula:
C19H36O6N2SSmiles:
CCCC1CC(C(O)=NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(CC)C1Aglycone:
CCCC1CC(C(O)=NCC(C)O)N(CC)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.57 | Num_heavy_atoms: | 28 |
| TPSA: | 125.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46189
Formula: C13H26O2N2
Smiles:
CCCC1CC(C(O)=NCC(C)O)N(CC)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.36 | Num_heavy_atoms: | 17 |
| TPSA: | 56.06 | NumAromaticRings: | 0 |
