GD029418

Name:

TAUROSIDE H1

Formula:

C58H94O26

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](OC[C@@H]3O[C@H](OC(=O)[C@@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@H](CC[C@@H]7C(C)(C)[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O)CC[C@@]76C)[C@@]4(C)C[C@H]5O)[C@H](O)[C@H](O)[C@H]3O)[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(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL501058
• CNP0078040

AD19137

Formula: C29H46O4

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	5.81	Num_rotatable_bonds:	1
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	77.76	NumAromaticRings:	0