GD122463

Name:

Sinocrassuloside V

Formula:

C54H84O25

Smiles:

C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)CC32C)C1(C)CCCO

Aglycone:

C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)C(O)CC32C)C1(C)CCCO.COC(=O)CC(C)(O)CC(=O)O

Sugarmoiety:

OCC1OC(OC2C(O)C(O)OC(COC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0293623

AD01854

Formula: C7H12O5

Smiles:

COC(=O)CC(C)(O)CC(=O)O

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.71
AlogP:	-0.22	Num_rotatable_bonds:	4
MolWt:	176.17	Num_heavy_atoms:	12
TPSA:	83.83	NumAromaticRings:	0

AD49350

Formula: C30H46O6

Smiles:

C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)C(O)CC32C)C1(C)CCCO

HBA:	6	RingCount:	4
HBD:	4	FractionCSP3:	0.8
AlogP:	5.44	Num_rotatable_bonds:	6
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	115.06	NumAromaticRings:	0