GD023470

Name:

NOBILOSIDE

Formula:

C47H72O19

Smiles:

CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C(=O)O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]2O)C(C)(C)[C@H]1CC3

Aglycone:

CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3

Sugarmoiety:

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

Other Identifiers

• CHEMBL509709
• CNP0384940

AD15778

Formula: C30H48O3

Smiles:

CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.83
AlogP:	7.54	Num_rotatable_bonds:	5
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0