GD147814

Name:

6-{[2,22-bis(acetyloxy)-21,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid

Formula:

C52H82O24

Smiles:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC23OC(O)C12C(OC(C)=O)C(O)C(C)(C)CC23

Aglycone:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC23OC(O)C12C(OC(C)=O)C(O)C(C)(C)CC23

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0243661

AD59180

Formula: C34H54O8

Smiles:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC23OC(O)C12C(OC(C)=O)C(O)C(C)(C)CC23

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.94
AlogP:	4.75	Num_rotatable_bonds:	2
MolWt:	590.8	Num_heavy_atoms:	42
TPSA:	122.52	NumAromaticRings:	0