Glycoside
GD088646
Name:
NoneFormula:
C17H30O9N3SSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@H]1OAglycone:
COS(O)(O)O.Nc1cccc(OCC[NH+]2CCCC2)n1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 452.51 | Num_heavy_atoms: | 30 |
| TPSA: | 178.43 | NumAromaticRings: | 1 |
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 |
AD38794
Formula: C11H18ON3
Smiles:
Nc1cccc(OCC[NH+]2CCCC2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.28 | Num_heavy_atoms: | 15 |
| TPSA: | 52.58 | NumAromaticRings: | 1 |
