GD014509

Name:

ACANTRIFOSIDE A

Formula:

C48H78O18

Smiles:

C=C(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](C[C@H](O)[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)C12

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

Sugarmoiety:

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

Other Identifiers

• CHEMBL1269327
• CNP0149903

AD10656

Formula: C30H48O4

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.06	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0