Glycoside
GD124212
Name:
3-hydroxy-N-sulfo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexanamine oxideFormula:
C12H23O10NS2Smiles:
CCCC(O)CC(SC1OC(CO)C(O)C(O)C1O)=[N+]([O-])S(=O)(=O)OAglycone:
CCCC(O)CC(S)=[N+]([O-])S(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.45 | Num_heavy_atoms: | 25 |
| TPSA: | 190.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD50166
Formula: C6H13O5NS2
Smiles:
CCCC(O)CC(S)=[N+]([O-])S(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 243.31 | Num_heavy_atoms: | 14 |
| TPSA: | 100.67 | NumAromaticRings: | 0 |
