GD121896

Name:

Capsianoside E

Formula:

C82H134O37

Smiles:

C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2OC(=O)C(C)=CCCC(C)=CCCC(C)=CCCC(C)(C=C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0081221

AD03073

Formula: C20H34O2

Smiles:

C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.6
AlogP:	5.1	Num_rotatable_bonds:	11
MolWt:	306.49	Num_heavy_atoms:	22
TPSA:	40.46	NumAromaticRings:	0

AD49091

Formula: C20H32O3

Smiles:

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

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.55
AlogP:	5.19	Num_rotatable_bonds:	11
MolWt:	320.47	Num_heavy_atoms:	23
TPSA:	57.53	NumAromaticRings:	0