GD132479

Name:

4,5-dihydroxy-2-{[5-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'-en-8'-oloxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxan-3-yl acetate

Formula:

C46H72O18

Smiles:

CC(=O)OC1C(OC2C(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(C)CO6)C(C)C54O)C3)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)OC(C)C(O)C1O

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

Sugarmoiety:

CC(=O)OC1C(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)OC(C)C(O)C1O

Other Identifiers

• CNP0198242

AD05155

Formula: C27H42O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.83	Num_rotatable_bonds:	0
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0