Glycoside
GD123606
Name:
3-hydroxy-3-methyl-N-sulfo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butanamine oxideFormula:
C11H21O10NS2Smiles:
CC(C)(O)CC(SC1OC(CO)C(O)C(O)C1O)=[N+]([O-])S(=O)(=O)OAglycone:
CC(C)(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: | 0.91 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.42 | Num_heavy_atoms: | 24 |
| TPSA: | 190.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD49897
Formula: C5H11O5NS2
Smiles:
CC(C)(O)CC(S)=[N+]([O-])S(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 229.28 | Num_heavy_atoms: | 13 |
| TPSA: | 100.67 | NumAromaticRings: | 0 |
