GD030800

Name:

ERYLOSIDE J

Formula:

C50H81O16N

Smiles:

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

Aglycone:

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

Sugarmoiety:

CC(=O)NC1C(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CHEMBL508018

AD06662

Formula: C32H52O3

Smiles:

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

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.84
AlogP:	8.18	Num_rotatable_bonds:	5
MolWt:	484.77	Num_heavy_atoms:	35
TPSA:	57.53	NumAromaticRings:	0