GD146590

Name:

Crypthophilic Acid C

Formula:

C47H82O24

Smiles:

CCCCC(CCCCCCCCC(O)CC(=O)O)OC1OC(COC2OC(C)C(OC(C)=O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC(=O)C(C)CC)C(O)C1O

Aglycone:

CCC(C)C(=O)O.CCCCC(O)CCCCCCCCC(O)CC(=O)O

Sugarmoiety:

CC(=O)OC1C(C)OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0426038

AD00363

Formula: C5H10O2

Smiles:

CCC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD45431

Formula: C16H32O4

Smiles:

CCCCC(O)CCCCCCCCC(O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.94
AlogP:	3.49	Num_rotatable_bonds:	14
MolWt:	288.43	Num_heavy_atoms:	20
TPSA:	77.76	NumAromaticRings:	0