GD016392

Name:

CROCIN

Formula:

C44H64O24

Smiles:

CC(C=CC=C(C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)=CC=CC=C(C)C=CC=C(C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL446785
• CNP0120486

AD08706

Formula: C20H24O4

Smiles:

CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.2
AlogP:	4.61	Num_rotatable_bonds:	8
MolWt:	328.41	Num_heavy_atoms:	24
TPSA:	74.6	NumAromaticRings:	0