GD155963

Name:

Mogroside Iie

Formula:

C60H90O23

Smiles:

CC(=O)OCC1OC(OC(CCC(C)C2CCC3(C)C4CC=C5C(CCC(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6OC(C)=O)C5(C)C)C4(C)C(OC(C)=O)CC23C)C(C)(C)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1CC2(C)C(C(C)CCC(O)C(C)(C)O)CCC2(C)C2CC=C3C(CCC(O)C3(C)C)C12C.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0426719

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD61804

Formula: C32H54O5

Smiles:

CC(=O)OC1CC2(C)C(C(C)CCC(O)C(C)(C)O)CCC2(C)C2CC=C3C(CCC(O)C3(C)C)C12C

HBA:	5	RingCount:	4
HBD:	3	FractionCSP3:	0.91
AlogP:	6.04	Num_rotatable_bonds:	6
MolWt:	518.78	Num_heavy_atoms:	37
TPSA:	86.99	NumAromaticRings:	0