GD012057

Name:

YESANCHINOSIDE J

Formula:

C55H90O24

Smiles:

CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(=C[C@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@@H]3[C@H]([C@](C)(CCC=C(C)C)O[C@@H]5O[C@H](CO[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)CC[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C12C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL503717
• CNP0114692

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

AD09116

Formula: C30H50O4

Smiles:

CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C12C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.87
AlogP:	5.39	Num_rotatable_bonds:	4
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0