GD153148

Name:

(6-{[3-(hexadecanoyloxy)-5-{[5-(hexadecanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyl-2-({4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl}oxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl icosanoate

Formula:

C98H178O26

Smiles:

CCCCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2C(OC3OC(C)C(OC(=O)CCCCCCCCCCCCCCC)C(O)C3O)C(C)OC(OC3C(C)OC4OC5C(OC(CCCCC)CCCCCCCCCC(=O)OC3C4O)OC(C)C(O)C5O)C2OC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O

Aglycone:

CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCC(=O)OC

Sugarmoiety:

CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0069460

AD00263

Formula: C16H32O2

Smiles:

CCCCCCCCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.94
AlogP:	5.55	Num_rotatable_bonds:	14
MolWt:	256.43	Num_heavy_atoms:	18
TPSA:	37.3	NumAromaticRings:	0

AD01626

Formula: C28H50O10

Smiles:

CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O

HBA:	10	RingCount:	3
HBD:	4	FractionCSP3:	0.96
AlogP:	2.71	Num_rotatable_bonds:	4
MolWt:	546.7	Num_heavy_atoms:	38
TPSA:	144.14	NumAromaticRings:	0

AD14233

Formula: C21H42O2

Smiles:

CCCCCCCCCCCCCCCCCCCC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.95
AlogP:	7.2	Num_rotatable_bonds:	18
MolWt:	326.56	Num_heavy_atoms:	23
TPSA:	26.3	NumAromaticRings:	0