Glycoside
GD048044
Name:
NoneFormula:
C10H24O8NSSmiles:
CC[C@H](C)[NH2+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CCC(C)[NH3+].COS(O)(O)OSugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.37 | Num_heavy_atoms: | 20 |
| 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 |
AD25791
Formula: C4H12N
Smiles:
CCC(C)[NH3+]| HBA: | 1 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.15 | Num_heavy_atoms: | 5 |
| TPSA: | 27.64 | NumAromaticRings: | 0 |
