GD137728

Name:

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

Formula:

C46H72O17

Smiles:

CC(=O)OC1C(C)OC(OC2C(OC3C(O)C(CO)OC(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC6OC7(CCC(C)CO7)C(C)C65)C4)C3O)OCC(O)C2O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OCC(O)C2O)C(O)C1O

Other Identifiers

• CNP0235180

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