Glycoside
GD027991
Name:
NoneFormula:
C21H19O7N4ClS2Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2nc3sc(-c4ccc(Cl)cc4)nn3c2=S)[C@@H]1OC(C)=OAglycone:
S=c1[nH]nc2sc(-c3ccc(Cl)cc3)nn12Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 526.98 | Num_heavy_atoms: | 34 |
| TPSA: | 123.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD18332
Formula: C10H5N4ClS2
Smiles:
S=c1[nH]nc2sc(-c3ccc(Cl)cc3)nn12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.75 | Num_heavy_atoms: | 16 |
| TPSA: | 45.98 | NumAromaticRings: | 3 |
