GD157707

Name:

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,8'-dioloxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C45H72O19

Smiles:

CC1OC(OC2C(OC3C(CO)OC(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC6OC7(OCC(CO)CC7O)C(C)C65O)C4)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2(OCC(CO)CC2O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

Sugarmoiety:

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

Other Identifiers

• CNP0123913

AD58650

Formula: C27H42O6

Smiles:

CC1C2(OCC(CO)CC2O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	2.77	Num_rotatable_bonds:	1
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0