GD008770

Name:

2-[(5-hydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-4,16'-dioloxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C43H68O17

Smiles:

C[C@@H]1CO[C@@]2(C[C@H]1O)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2C

Aglycone:

CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL501918
• CNP0160732

AD04751

Formula: C27H42O5

Smiles:

CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

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