GD016966

Name:

SARASINOSIDE Q

Formula:

C62H100O28N2

Smiles:

CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CCC5=C6CC[C@H]([C@H](C)CC(=O)C=C(C)C)[C@@]6(C)CC[C@@]4(O)O5)C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(C)C(O)CCC4(C)C(O)(CCC21C)O3

Sugarmoiety:

CC(=O)NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3NC(C)=O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CHEMBL2071316

AD12159

Formula: C29H46O4

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(C)C(O)CCC4(C)C(O)(CCC21C)O3

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.83
AlogP:	6.31	Num_rotatable_bonds:	4
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	66.76	NumAromaticRings:	0