GD013046

Name:

SARASINOSIDE R

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](CC[C@@]5(O)[C@]4(O)CC=C4[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@]45C)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(C)C1=CCC1(O)C3(C)CCC(O)C(C)(C)C3CCC21O

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

• CHEMBL2071317

AD09785

Formula: C29H46O4

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2(C)C1=CCC1(O)C3(C)CCC(O)C(C)(C)C3CCC21O

HBA:	4	RingCount:	4
HBD:	3	FractionCSP3:	0.83
AlogP:	5.35	Num_rotatable_bonds:	4
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	77.76	NumAromaticRings:	0