GD116476

Name:

(6-{[3-(hexadecanoyloxy)-5-{[5-(hexadecanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 11-({3-[(5-{[3-(hexadecanoyloxy)-5-{[5-(hexadecanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)hexadecanoate

Formula:

C156H280O50

Smiles:

CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC(OC4C(OC(CCCCC)CCCCCCCCCC(=O)OCC5OC(OC6C(OC7OC(C)C(OC(=O)CCCCCCCCCCCCCCC)C(O)C7O)C(C)OC(OC7C(C)OC8OC9C(OC(CCCCC)CCCCCCCCCC(=O)OC8C7O)OC(C)C(O)C9O)C6OC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C5O)OC(C)C(O)C4O)C(O)C3O)C(OC(=O)CCCCCCCCCCCCCCC)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

CCCCCC(O)CCCCCCCCCC(=O)OC.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O

Sugarmoiety:

CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(C)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0037759

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

AD01035

Formula: C28H50O10

Smiles:

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

AD07458

Formula: C17H34O3

Smiles:

CCCCCC(O)CCCCCCCCCC(=O)OC

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.94
AlogP:	4.61	Num_rotatable_bonds:	14
MolWt:	286.46	Num_heavy_atoms:	20
TPSA:	46.53	NumAromaticRings:	0