GD132281

Name:

6-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}oxane-2,3,4,5-tetrol

Formula:

C50H80O21

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(O)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0311312

AD00005

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0