Glycoside
GD126890
Name:
N-[5-(benzoyloxy)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]-N-oxosulfamic acidFormula:
C19H27O11NS2Smiles:
CC(CCCC(SC1OC(CO)C(O)C(O)C1O)=[N+]([O-])S(=O)(=O)O)OC(=O)c1ccccc1Aglycone:
CC(CCCC(S)=[N+]([O-])S(=O)(=O)O)OC(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 509.56 | Num_heavy_atoms: | 33 |
| TPSA: | 196.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD51364
Formula: C13H17O6NS2
Smiles:
CC(CCCC(S)=[N+]([O-])S(=O)(=O)O)OC(=O)c1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 347.41 | Num_heavy_atoms: | 22 |
| TPSA: | 106.74 | NumAromaticRings: | 1 |
