Glycoside
GD105650
Name:
NoneFormula:
C14H31O20NS3Smiles:
CO[C@H]1O[C@H](COS(O)(O)O)[C@@H](O[C@H]2O[C@@H](C(=O)O)[C@H](OC)[C@@H](O)[C@@H]2OS(O)(O)O)[C@H](O)[C@@H]1NS(O)(O)OAglycone:
COS(O)(O)O.NS(O)(O)O.OS(O)(O)OSugarmoiety:
COC1OC(O)C(OC2OC(C(=O)O)C(OC)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 12 |
| MolWt: | 629.59 | Num_heavy_atoms: | 38 |
| TPSA: | 336.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD24829
Formula: H4O4S
Smiles:
OS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.09 | Num_heavy_atoms: | 5 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
AD24861
Formula: H5O3NS
Smiles:
NS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 99.11 | Num_heavy_atoms: | 5 |
| TPSA: | 86.71 | NumAromaticRings: | 0 |
