Glycoside
GD147802
Name:
N-{2-chloro-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-4-pentylpyrrolidine-2-carboximidic acidFormula:
C20H35O5N2ClSSmiles:
CCCCCC1CNC(C(O)=NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)C1Aglycone:
CCCCCC1CNC(C(O)=NCC(C)Cl)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 439.02 | Num_heavy_atoms: | 28 |
| TPSA: | 114.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD59173
Formula: C14H25ON2Cl
Smiles:
CCCCCC1CNC(C(O)=NCC(C)Cl)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 260.81 | Num_heavy_atoms: | 17 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
