GD128730

Name:

Yesanchinoside J

Formula:

C61H102O28

Smiles:

CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(C(C)(CCC=C(C)C)OC5OC(COC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(CO)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)C3CCC12C.COC(C)=O

Sugarmoiety:

OC1COC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0154819

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

AD00161

Formula: C30H52O3

Smiles:

CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.93
AlogP:	6.5	Num_rotatable_bonds:	4
MolWt:	460.74	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0