GD139792

Name:

4-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5-dihydroxy-6-{[19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-22-oxo-21-oxahexacyclo[18.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tricosan-10-yl]oxy}oxane-2-carboxylic acid

Formula:

C48H76O19

Smiles:

CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C(C)(C)O)C7CC6(CCC45C)C(=O)O7)C3(C)C)OC(C(=O)O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:

CC(C)(O)C1C2CC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C13)C(=O)O2

Sugarmoiety:

CC1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0118248

AD04069

Formula: C30H48O4

Smiles:

CC(C)(O)C1C2CC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C13)C(=O)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.97
AlogP:	5.74	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0