GD115659

Name:

Achyranthoside H

Formula:

C51H80O20

Smiles:

COC(=O)COC(OC1C(O)C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)OC(C(=O)OC)C1O)C(OC)C(=O)OC

Aglycone:

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

Sugarmoiety:

COC(=O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0423820

AD00086

Formula: C30H48O3

Smiles:

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

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0

AD45793

Formula: C8H14O7

Smiles:

COC(=O)COC(O)C(OC)C(=O)OC

HBA:	7	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	-1.32	Num_rotatable_bonds:	6
MolWt:	222.19	Num_heavy_atoms:	15
TPSA:	91.29	NumAromaticRings:	0