GD129975

Name:

Yesanchinoside A

Formula:

C44H74O16

Smiles:

CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C5(C)CCC(C(C)(C)O)O5)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1.COC(C)=O

Sugarmoiety:

OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0180043

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

AD00139

Formula: C30H52O5

Smiles:

CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	1.0
AlogP:	4.68	Num_rotatable_bonds:	2
MolWt:	492.74	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0