GD131944

Name:

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

Formula:

C52H86O22

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(O)C(O)C7OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1

Aglycone:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

OCC1OC(OC2C(O)C(OC3C(O)OCC(O)C3O)OC(CO)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0264012

AD17346

Formula: C30H50O4

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	4	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	5.32	Num_rotatable_bonds:	1
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	69.92	NumAromaticRings:	0