GD017459

Name:

CERTONARDOSIDE G

Formula:

C39H67O17S

Smiles:

CO[C@@H]1CO[C@H](O[C@H]2[C@H](O[C@H](CC[C@H](C)[C@@H]3C[C@H](O)[C@H]4[C@@]3(C)CC[C@H]3[C@@]4(O)C[C@H](OS(=O)(=O)[O-])[C@@H]4[C@H](O)[C@H](O)CC[C@]43C)C(C)C)O[C@@H](CO)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:

CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)[O-])CC12O

Sugarmoiety:

COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1O

Other Identifiers

• CHEMBL447853

AD12452

Formula: C27H47O9S

Smiles:

CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)[O-])CC12O

HBA:	9	RingCount:	4
HBD:	5	FractionCSP3:	1.0
AlogP:	1.95	Num_rotatable_bonds:	7
MolWt:	547.73	Num_heavy_atoms:	37
TPSA:	167.58	NumAromaticRings:	0