Glycoside
GD138478
Name:
3-hydroxy-N-(1-methyl-4-propylpyrrolidin-2-yl)-2-(3,4,5-trihydroxy-6-methanesulfinyloxan-2-yl)butanamideFormula:
C18H34O7N2SSmiles:
CCCC1CC(N=C(O)C(C(C)O)C2OC(S(C)=O)C(O)C(O)C2O)N(C)C1Aglycone:
CCCC1CC(N=C(O)CC(C)O)N(C)C1Sugarmoiety:
CS(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.54 | Num_heavy_atoms: | 28 |
| TPSA: | 143.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD49050
Formula: C12H24O2N2
Smiles:
CCCC1CC(N=C(O)CC(C)O)N(C)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 228.34 | Num_heavy_atoms: | 16 |
| TPSA: | 56.06 | NumAromaticRings: | 0 |
