Glycoside
GD053393
Name:
NoneFormula:
C11H23O9NSSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](N[C@@H]2CCCOC2)[C@H]1OAglycone:
COS(O)(O)O.NC1CCCOC1Sugarmoiety:
OC1CCCOC1.OO.OOOOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.37 | Num_heavy_atoms: | 22 |
| TPSA: | 161.1 | 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 |
AD25013
Formula: C5H11ON
Smiles:
NC1CCCOC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 35.25 | NumAromaticRings: | 0 |
