GD019377

Name:

ACANKOREOSIDE L

Formula:

C50H82O21

Smiles:

COC(OC)[C@H](C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]5CC[C@]43C)[C@H]12

Aglycone:

COC(OC)C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1209884
• CNP0079606

AD13534

Formula: C32H52O7

Smiles:

COC(OC)C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.94
AlogP:	5.83	Num_rotatable_bonds:	6
MolWt:	548.76	Num_heavy_atoms:	39
TPSA:	113.29	NumAromaticRings:	0