GD127082

Name:

2-(16'-{[5-({4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-15'-oloxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C56H90O29

Smiles:

CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0250652

AD17945

Formula: C27H42O5

Smiles:

CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	3.66	Num_rotatable_bonds:	0
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0