Glycoside
GD063918
Name:
NoneFormula:
C13H28O8NSSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H]([NH2+]C2CCCCCC2)[C@H]1OAglycone:
COS(O)(O)O.[NH3+]C1CCCCCC1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.43 | Num_heavy_atoms: | 23 |
| 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 |
AD25350
Formula: C7H16N
Smiles:
[NH3+]C1CCCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.21 | Num_heavy_atoms: | 8 |
| TPSA: | 27.64 | NumAromaticRings: | 0 |
