Glycoside
GD016719
Name:
NoneFormula:
C24H24O8N3ClSSmiles:
CSC1NC(c2ccc(Cl)cc2)=C(C#N)C(=O)N1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CSC1NC(=O)C(C#N)=C(c2ccc(Cl)cc2)N1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 537.98 | Num_heavy_atoms: | 36 |
| TPSA: | 144.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD12000
Formula: C13H10ON3ClS
Smiles:
CSC1NC(=O)C(C#N)=C(c2ccc(Cl)cc2)N1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 279.75 | Num_heavy_atoms: | 18 |
| TPSA: | 64.92 | NumAromaticRings: | 1 |
