GD140052

Name:

Tetrapteroside A

Formula:

C70H112O31

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(OC2C(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)O)CCC67CO)C5(C)C)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC=C(C)C(=O)OC.CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(O)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0036717

AD16362

Formula: C11H18O3

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)OC

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.55
AlogP:	1.82	Num_rotatable_bonds:	5
MolWt:	198.26	Num_heavy_atoms:	14
TPSA:	46.53	NumAromaticRings:	0

AD45051

Formula: C30H48O4

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.21	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0