GD023211

Name:

ARGANINE C

Formula:

C58H94O28

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@](C)(CO)[C@H]6[C@H](O)C[C@@]5(C)[C@@]3(C)C[C@H]4O)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL505976
• CNP0236349

AD03100

Formula: C30H48O7

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

HBA:	7	RingCount:	5
HBD:	6	FractionCSP3:	0.9
AlogP:	3.12	Num_rotatable_bonds:	2
MolWt:	520.71	Num_heavy_atoms:	37
TPSA:	138.45	NumAromaticRings:	0