GD150929

Name:

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

Formula:

C49H84O24

Smiles:

CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(OC3OC(C)C(OC4OC(C)C(OC(=O)C(C)CC)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)OC2C(O1)OC(C)C(O)C2O

Aglycone:

CCC(C)C(=O)O.CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2O

Sugarmoiety:

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

Other Identifiers

• CNP0124679

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

AD51563

Formula: C26H46O10

Smiles:

CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2O

HBA:	10	RingCount:	3
HBD:	4	FractionCSP3:	0.96
AlogP:	1.93	Num_rotatable_bonds:	2
MolWt:	518.64	Num_heavy_atoms:	36
TPSA:	144.14	NumAromaticRings:	0