Glycoside
GD147987
Name:
N-{2-chloro-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-4-ethyl-1-methylpyrrolidine-2-carboximidic acidFormula:
C18H31O5N2ClSSmiles:
CCC1CC(C(O)=NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1Aglycone:
CCC1CC(C(O)=NCC(C)Cl)N(C)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.96 | Num_heavy_atoms: | 26 |
| TPSA: | 105.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD59241
Formula: C12H21ON2Cl
Smiles:
CCC1CC(C(O)=NCC(C)Cl)N(C)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.75 | Num_heavy_atoms: | 15 |
| TPSA: | 35.83 | NumAromaticRings: | 0 |
