Glycoside
GD124822
Name:
N-({3,4-dihydroxy-5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]oxolan-2-yl}methyl)methanesulfonamideFormula:
C12H22O6N2SSmiles:
CS(=O)(=O)NCC1OC(CC(=O)N2CCCC2)C(O)C1OAglycone:
CC(=O)N1CCCC1.CNS(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 322.38 | Num_heavy_atoms: | 21 |
| TPSA: | 116.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD05521
Formula: C2H7O2NS
Smiles:
CNS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD26841
Formula: C6H11ON
Smiles:
CC(=O)N1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
