GD132590

Name:

13-({6-[(acetyloxy)methyl]-3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl}oxy)docosanoic acid

Formula:

C38H68O15

Smiles:

CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(COC(C)=O)C(O)C(O)C1O

Aglycone:

CCCCCCCCCC(O)CCCCCCCCCCCC(=O)O.COC(C)=O.COC(C)=O

Sugarmoiety:

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0230170

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

AD48761

Formula: C22H44O3

Smiles:

CCCCCCCCCC(O)CCCCCCCCCCCC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.95
AlogP:	6.86	Num_rotatable_bonds:	20
MolWt:	356.59	Num_heavy_atoms:	25
TPSA:	57.53	NumAromaticRings:	0