GD014172

Name:

ERYNGIOSIDE C

Formula:

C55H90O23

Smiles:

C[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CC(C)(C)C[C@@H]3C4=CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]4(C)CC(=O)[C@]23CO)O[C@H]1CO

Aglycone:

CC1(C)CC(O)C2(CO)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1C(CO)OC(O)C(O)C1O.OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1095344

AD10462

Formula: C30H48O4

Smiles:

CC1(C)CC(O)C2(CO)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	5.29	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0