Glycoside
GD087248
Name:
NoneFormula:
C15H24O9N3ClSSmiles:
CC(C)(C)n1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1ClAglycone:
CC(C)(C)n1ncc(C(N)=O)c1Cl.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.88 | Num_heavy_atoms: | 28 |
| TPSA: | 186.76 | 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 |
AD31173
Formula: C9H12ON3Cl
Smiles:
CC(C)(C)n1ncc(C(N)=O)c1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.66 | Num_heavy_atoms: | 13 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
