Glycoside
GD129152
Name:
N-{2-hydroxy-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methyl-4-pentylpyrrolidine-2-carboximidic acidFormula:
C20H38O6N2SSmiles:
CCCCCC1CC(C(O)=NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1Aglycone:
CCCCCC1CC(C(O)=NCC(C)O)N(C)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 434.6 | Num_heavy_atoms: | 29 |
| TPSA: | 125.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD52317
Formula: C14H28O2N2
Smiles:
CCCCCC1CC(C(O)=NCC(C)O)N(C)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 256.39 | Num_heavy_atoms: | 18 |
| TPSA: | 56.06 | NumAromaticRings: | 0 |
