GD003493

Name:

None

Formula:

C58H92O26

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](C(=O)O)O[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)C3(C)C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)C(O)OC(C(=O)O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL2442203

AD00086

Formula: C30H48O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0