GD133065

Name:

Conyzasaponin K

Formula:

C68H110O35

Smiles:

CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6O)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0360083

AD10010

Formula: C30H48O6

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.15	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0