GD146124

Name:

Yesanchinoside F

Formula:

C56H94O24

Smiles:

CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C(C)(CCC=C(C)C)OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0150596

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

AD00144

Formula: C30H52O4

Smiles:

CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.93
AlogP:	5.47	Num_rotatable_bonds:	4
MolWt:	476.74	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0