GD156166

Name:

Cucumarioside A2-5

Formula:

C61H96O31S

Smiles:

CCC(C)C(=O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(OS(=O)(=O)O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(OC)C8O)C7O)C(O)C6OC6OCC(O)C(O)C6O)CCC45C)C2(C)CC(OC(C)=O)C13

Aglycone:

CCC(C)C(=O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13.O=S(=O)(O)O

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CNP0426740

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD61869

Formula: C32H48O6

Smiles:

CCC(C)C(=O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13

HBA:	6	RingCount:	5
HBD:	1	FractionCSP3:	0.84
AlogP:	5.8	Num_rotatable_bonds:	5
MolWt:	528.73	Num_heavy_atoms:	38
TPSA:	89.9	NumAromaticRings:	0