GD010547

Name:

2-{[4,5-dihydroxy-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'-ene-3,4-dioloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C39H62O14

Smiles:

C[C@@H]1CO[C@]2(O[C@@H]3C[C@@H]4[C@@H]5CC=C6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@H]5CC[C@@]4(C)[C@H]3[C@H]2C)[C@H](O)[C@H]1O

Aglycone:

CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL442835
• CNP0187747

AD08131

Formula: C27H42O5

Smiles:

CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1O

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	3.66	Num_rotatable_bonds:	0
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0