Glycoside
GD105906
Name:
NoneFormula:
C12H27O20NS3Smiles:
O=C(O)[C@@H]1O[C@H](O[C@@H]2[C@H](COS(O)(O)O)O[C@@H](O)[C@H](NS(O)(O)O)[C@@H]2O)[C@@H](OS(O)(O)O)[C@H](O)[C@H]1OAglycone:
COS(O)(O)O.NS(O)(O)O.OS(O)(O)OSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 0.92 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 601.54 | Num_heavy_atoms: | 36 |
| TPSA: | 358.47 | 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 |
