GD031088

Name:

None

Formula:

C52H82O23

Smiles:

C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3[C@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](O[C@H]4O[C@@H](O[C@@H]6OC[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@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@@H](O)[C@H]4O)[C@](C)(CO)[C@@H]3CC5)O2)OC1=O

Aglycone:

CC1CC2(CC(C)C3C(CC4(C)C5=C(CCC34C)C3(C)CCC(O)C(C)(CO)C3CC5)O2)OC1=O

Sugarmoiety:

CC1OC(OC2C(OC3C(OC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3215347

AD20059

Formula: C30H46O5

Smiles:

CC1CC2(CC(C)C3C(CC4(C)C5=C(CCC34C)C3(C)CCC(O)C(C)(CO)C3CC5)O2)OC1=O

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.38	Num_rotatable_bonds:	1
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	75.99	NumAromaticRings:	0