GD119060

Name:

16'-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]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'-ene-4,5,8'-triol

Formula:

C45H72O19

Smiles:

CC1OC(OC2C(C)OC(OC3C(CO)OC(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC6OC7(CC(O)C(C)(O)CO7)C(C)C65O)C4)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2(CC(O)C(C)(O)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

Sugarmoiety:

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

Other Identifiers

• CNP0209411

AD47655

Formula: C27H42O6

Smiles:

CC1C2(CC(O)C(C)(O)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	2.91	Num_rotatable_bonds:	0
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0