GD155122

Name:

2-({6-[(6-{4-[(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methylbutyl}-15-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C47H80O19

Smiles:

CCC1OC(OCC(C)CCC2(OC)OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)CC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0126225

AD05189

Formula: C28H48O5

Smiles:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	1.0
AlogP:	4.37	Num_rotatable_bonds:	5
MolWt:	464.69	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0