GD001105

Name:

OPERCULINOSIDE C

Formula:

C42H72O14

Smiles:

CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)O1

Aglycone:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1910828
• CNP0085300

AD01150

Formula: C30H52O4

Smiles:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	1.0
AlogP:	5.71	Num_rotatable_bonds:	2
MolWt:	476.74	Num_heavy_atoms:	34
TPSA:	69.92	NumAromaticRings:	0