GD121017

Name:

Eupteleasaponin Ix

Formula:

C43H68O15

Smiles:

CC(=O)OCC1OC(OCC2(C)C(O)CCC3(C)C2CCC2(C)C3CC=C3C4CC(C)(O)CCC4(C(=O)O)CCC32C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0198300

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

AD48672

Formula: C29H46O5

Smiles:

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

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.9
AlogP:	4.93	Num_rotatable_bonds:	2
MolWt:	474.68	Num_heavy_atoms:	34
TPSA:	97.99	NumAromaticRings:	0