GD027945

Name:

GORDONOSIDE M

Formula:

C53H84O23

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)C[C@]56C)C4(C)C)O[C@@H](C(=O)O)[C@H]3O)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(O)OC(C(=O)O)C3O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1782846
• CNP0085169

AD00309

Formula: C30H48O4

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.2	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0