Glycoside
GD072426
Name:
NoneFormula:
C14H25O8N3SSmiles:
CC(C)(C)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nn1Aglycone:
CC(C)(C)c1ccc(N)nn1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.43 | Num_heavy_atoms: | 26 |
| TPSA: | 177.65 | 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 |
AD26455
Formula: C8H13N3
Smiles:
CC(C)(C)c1ccc(N)nn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.21 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
