GD151998

Name:

10-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-20-formyl-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-22-yl acetate

Formula:

C54H86O24

Smiles:

CC(=O)OC1CC(C)(C=O)CC2C13COC21CCC2C4(C)CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3O

Aglycone:

CC(=O)OC1CC(C)(C=O)CC2C13COC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0143444

AD48651

Formula: C32H50O6

Smiles:

CC(=O)OC1CC(C)(C=O)CC2C13COC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O

HBA:	6	RingCount:	6
HBD:	2	FractionCSP3:	0.94
AlogP:	5.07	Num_rotatable_bonds:	2
MolWt:	530.75	Num_heavy_atoms:	38
TPSA:	93.06	NumAromaticRings:	0