Glycoside
GD141651
Name:
2-[3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-[(pyridin-3-yl)methyl]acetamideFormula:
C14H21O6N3SSmiles:
CS(=O)(=O)NCC1OC(CC(O)=NCc2cccnc2)C(O)C1OAglycone:
CC(O)=NCc1cccnc1.CNS(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 359.4 | Num_heavy_atoms: | 24 |
| TPSA: | 141.34 | NumAromaticRings: | 1 |
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 |
AD46357
Formula: C8H10ON2
Smiles:
CC(O)=NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
