Glycoside
GD094618
Name:
NoneFormula:
C17H24O9N4SSmiles:
Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nn1Cc1ccccn1Aglycone:
COS(O)(O)O.Cc1cc(C(N)=O)nn1Cc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.47 | Num_heavy_atoms: | 31 |
| TPSA: | 199.65 | NumAromaticRings: | 2 |
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 |
AD34799
Formula: C11H12ON4
Smiles:
Cc1cc(C(N)=O)nn1Cc1ccccn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 73.8 | NumAromaticRings: | 2 |
