GD012452

Name:

NOBILOSIDETRIMETHYLESTER

Formula:

C50H78O19

Smiles:

COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O[C@@H]3CC[C@]4(C)C5=C(CC[C@H]4C3(C)C)[C@]3(C(=O)OC)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]3(C)CC5)O[C@H]2C(=O)OC)[C@H](O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

COC(=O)C12CCC(C(C)CCC=C(C)C)C1(C)CCC1=C2CCC2C1(C)CCC(O)C2(C)C

Sugarmoiety:

COC(=O)C1OC(OC2C(C(=O)OC)OC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL510247

AD09388

Formula: C31H50O3

Smiles:

COC(=O)C12CCC(C(C)CCC=C(C)C)C1(C)CCC1=C2CCC2C1(C)CCC(O)C2(C)C

HBA:	3	RingCount:	4
HBD:	1	FractionCSP3:	0.84
AlogP:	7.63	Num_rotatable_bonds:	5
MolWt:	470.74	Num_heavy_atoms:	34
TPSA:	46.53	NumAromaticRings:	0