Glycoside

GD006932
Name:
NoneFormula:
C35H33O13NSmiles:
CNC1C(O[C@@H]2C3=CC#C[C@@H]4O[C@@]4([C@@H]4COC(=O)O4)C#CC3=C[C@H]2OC(=O)c2c(O)ccc3c(OC)cc(OC)cc23)OC(C)C(O)C1OAglycone:
COc1cc(OC)c2ccc(O)c(C(=O)OC3C=C4C#CC5(C6COC(=O)O6)OC5C#CC=C4C3O)c2c1Sugarmoiety:
CNC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 7 |
HBD: | 4 | FractionCSP3: | 0.43 |
AlogP: | 1.09 | Num_rotatable_bonds: | 8 |
MolWt: | 675.64 | Num_heavy_atoms: | 49 |
TPSA: | 184.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD05683
Formula: C28H20O10
Smiles:
COc1cc(OC)c2ccc(O)c(C(=O)OC3C=C4C#CC5(C6COC(=O)O6)OC5C#CC=C4C3O)c2c1HBA: | 10 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.29 |
AlogP: | 2.01 | Num_rotatable_bonds: | 5 |
MolWt: | 516.46 | Num_heavy_atoms: | 38 |
TPSA: | 133.28 | NumAromaticRings: | 2 |