GD151379

Name:

10-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-2-hydroxy-4,5,9,9,13,20-hexamethyl-23-oxo-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-16-ene-20-carboxylic acid

Formula:

C53H82O24

Smiles:

CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C(=O)O)C7CC6(C(=O)O7)C(O)CC45C)C3(C)C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C(=O)O)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0310940

AD60378

Formula: C30H44O6

Smiles:

CC1(C(=O)O)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.87
AlogP:	4.72	Num_rotatable_bonds:	1
MolWt:	500.68	Num_heavy_atoms:	36
TPSA:	104.06	NumAromaticRings:	0