Glycoside
GD057418
Name:
NoneFormula:
C11H24O8NSSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+]C2CCCC2)[C@H]1OAglycone:
COS(O)(O)O.[NH3+]C1CCCC1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.38 | Num_heavy_atoms: | 21 |
| TPSA: | 156.45 | 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 |
AD28787
Formula: C5H12N
Smiles:
[NH3+]C1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.16 | Num_heavy_atoms: | 6 |
| TPSA: | 27.64 | NumAromaticRings: | 0 |
