GD123355

Name:

6-methyl-2-{[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-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}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl decanoate

Formula:

C56H98O25

Smiles:

CCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(CO)C(O)C4O)OC(C)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0423062

AD01121

Formula: C28H50O11

Smiles:

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

HBA:	11	RingCount:	3
HBD:	5	FractionCSP3:	0.96
AlogP:	1.68	Num_rotatable_bonds:	5
MolWt:	562.7	Num_heavy_atoms:	39
TPSA:	164.37	NumAromaticRings:	0

AD01332

Formula: C10H20O2

Smiles:

CCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.9
AlogP:	3.21	Num_rotatable_bonds:	8
MolWt:	172.27	Num_heavy_atoms:	12
TPSA:	37.3	NumAromaticRings:	0