GD002742

Name:

HELIANTHOSIDE 2

Formula:

C64H104O30

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)C(O)OC(CO)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL388346
• CNP0294372

AD00309

Formula: C30H48O4

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.2	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0