Glycoside
GD134352
Name:
N-[4-(benzoyloxy)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]-N-oxosulfamic acidFormula:
C17H23O11NS2Smiles:
O=C(OCCCC(SC1OC(CO)C(O)C(O)C1O)=[N+]([O-])S(=O)(=O)O)c1ccccc1Aglycone:
O=C(OCCCC(S)=[N+]([O-])S(=O)(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.5 | Num_heavy_atoms: | 31 |
| TPSA: | 196.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD54358
Formula: C11H13O6NS2
Smiles:
O=C(OCCCC(S)=[N+]([O-])S(=O)(=O)O)c1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 319.36 | Num_heavy_atoms: | 20 |
| TPSA: | 106.74 | NumAromaticRings: | 1 |
