GD006420

Name:

Neosibiricoside A

Formula:

C47H74O21

Smiles:

CC(=O)O[C@@H]1C[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)CC2=CC[C@@H]3[C@@H]4C[C@@H]5O[C@]6(OC[C@H](C)[C@H](O)[C@H]6O)[C@H](C)[C@H]5[C@@]4(C)CC[C@H]3[C@]21C

Aglycone:

CC(=O)OC1CC(O)CC2=CCC3C4CC5OC6(OCC(C)C(O)C6O)C(C)C5C4(C)CCC3C21C

Sugarmoiety:

CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL450738
• CNP0262884

AD05320

Formula: C29H44O7

Smiles:

CC(=O)OC1CC(O)CC2=CCC3C4CC5OC6(OCC(C)C(O)C6O)C(C)C5C4(C)CCC3C21C

HBA:	7	RingCount:	6
HBD:	3	FractionCSP3:	0.9
AlogP:	3.2	Num_rotatable_bonds:	1
MolWt:	504.66	Num_heavy_atoms:	36
TPSA:	105.45	NumAromaticRings:	0