GD132052

Name:

16'-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-11'-hydroxy-5,7',9',13'-tetramethyl-10'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]nonadecan]-18'-ene-19'-carbaldehyde

Formula:

C51H78O23

Smiles:

CC1CCC2(OC1)OC1CC3C4C(C=O)=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4C(O)C(=O)C3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4C(C=O)=C5CC(O)CCC5(C)C4C(O)C(=O)C3(C)C1C2C

Sugarmoiety:

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

Other Identifiers

• CNP0247362

AD53464

Formula: C27H38O6

Smiles:

CC1CCC2(OC1)OC1CC3C4C(C=O)=C5CC(O)CCC5(C)C4C(O)C(=O)C3(C)C1C2C

HBA:	6	RingCount:	6
HBD:	2	FractionCSP3:	0.85
AlogP:	3.04	Num_rotatable_bonds:	1
MolWt:	458.6	Num_heavy_atoms:	33
TPSA:	93.06	NumAromaticRings:	0