GD035802

Name:

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

Formula:

C58H98O26

Smiles:

CCCCC[C@@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H](O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](O[C@@H]4O[C@H](C)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3OC(=O)[C@H](C)CC)[C@H]2O)O[C@H]2[C@@H](O[C@@H](C)[C@@H](O)[C@H]2OC(C)=O)O1

Aglycone:

CCC(C)C(=O)O.CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2OC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3344504
• CNP0361751

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

AD12643

Formula: C30H52O11

Smiles:

CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2OC(C)=O

HBA:	11	RingCount:	3
HBD:	3	FractionCSP3:	0.93
AlogP:	3.28	Num_rotatable_bonds:	5
MolWt:	588.74	Num_heavy_atoms:	41
TPSA:	150.21	NumAromaticRings:	0