GD114954

Name:

5-(16-{[3-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-10-hydroxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-6-yl)-2-methylpentan-2-yl acetate

Formula:

C56H90O24

Smiles:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CCCC(C)(C)OC(C)=O)C8CCC9(C)C7CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1O

Aglycone:

CC(=O)OC(C)(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0350895

AD45379

Formula: C32H50O6

Smiles:

CC(=O)OC(C)(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.88
AlogP:	5.73	Num_rotatable_bonds:	5
MolWt:	530.75	Num_heavy_atoms:	38
TPSA:	93.06	NumAromaticRings:	0