GD119370

Name:

5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-6-methyl-2-({4,5,25-trihydroxy-6,23-dimethyl-19-oxo-10-pentyl-2,7,9,20,24-pentaoxatricyclo[19.3.1.0³,⁸]pentacosan-22-yl}oxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl 2-methylbutanoate

Formula:

C55H94O25

Smiles:

CCCCCC1CCCCCCCCC(=O)OC2C(O)C(OC(C)C2OC2OC(C)C(OC3OC(C)C(OC(=O)C(C)CC)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2OC(=O)C(C)CC)OC2C(O1)OC(C)C(O)C2O

Aglycone:

CCC(C)C(=O)O.CCC(C)C(=O)O.CCCCCC1CCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O

Sugarmoiety:

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

Other Identifiers

• CNP0305141

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

AD47813

Formula: C27H48O10

Smiles:

CCCCCC1CCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O

HBA:	10	RingCount:	3
HBD:	4	FractionCSP3:	0.96
AlogP:	2.32	Num_rotatable_bonds:	4
MolWt:	532.67	Num_heavy_atoms:	37
TPSA:	144.14	NumAromaticRings:	0