GD123455

Name:

[7,8,18,28,29,35,55,56,58-nonahydroxy-54-(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-2,16,20-trioxo-57-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2¹¹,¹⁴.2²²,²⁵.1³⁴,³⁸.0¹,⁴⁶.0⁴,⁹.0²⁷,³².0³⁷,⁴².0⁴⁵,⁵³]octapentacont-44-en-30-yl]methyl hexadecanoate

Formula:

C79H128O30

Smiles:

CCCCCCCCCCCCCCCC(=O)OCC1OC2OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC45C)C(=O)OC4OCC(O)C(O)C4OC4OC(C)C(OC(=O)CC(C)(O)CC(=O)OC5COC(OC2C(O)C1O)C(O)C5O)C(OC1OCC(O)C(O)C1O)C4O)C3(C)CO

Aglycone:

CCCCCCCCCCCCCCCC(=O)OCC1OC2OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC45C)C(=O)OC4OCC(O)C(O)C4OC4OC(C)C(OC(=O)CC(C)(O)CC(=O)OC5COC(OC2C(O)C1O)C(O)C5O)C(O)C4O)C3(C)CO

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0191652

AD49825

Formula: C74H120O26

Smiles:

CCCCCCCCCCCCCCCC(=O)OCC1OC2OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC45C)C(=O)OC4OCC(O)C(O)C4OC4OC(C)C(OC(=O)CC(C)(O)CC(=O)OC5COC(OC2C(O)C1O)C(O)C5O)C(O)C4O)C3(C)CO

HBA:	26	RingCount:	16
HBD:	11	FractionCSP3:	0.92
AlogP:	4.89	Num_rotatable_bonds:	17
MolWt:	1425.75	Num_heavy_atoms:	100
TPSA:	392.34	NumAromaticRings:	0