GD023403

Name:

methyl 11-({3-[(5-{[5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-3-hydroxy-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:

C52H92O25

Smiles:

CCCCC[C@H](CCCCCCCCCC(=O)OC)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CCC(C)C(=O)O.CCCCCC(O)CCCCCCCCCC(=O)OC

Sugarmoiety:

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

• CHEMBL3344509
• CNP0344522

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

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