GD118171

Name:

16-[(3-{[5-({4-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2,6,13,17,17-pentamethyl-6-(4-methylpenta-1,3-dien-1-yl)-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-1(20)-en-4-yl acetate

Formula:

C60H92O26

Smiles:

COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(C=CC=C(C)C)C8C(OC(C)=O)CC9(C)C7=CCC6C5(C)C)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Aglycone:

CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13

Sugarmoiety:

COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CNP0244233

AD01432

Formula: C32H46O5

Smiles:

CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.75
AlogP:	6.31	Num_rotatable_bonds:	3
MolWt:	510.72	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0