GD131291

Name:

2-{[4-hydroxy-2-(hydroxymethyl)-6-{6-methoxy-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}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C46H74O18

Smiles:

COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C

Aglycone:

COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0164825

AD46179

Formula: C28H44O5

Smiles:

COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.8	Num_rotatable_bonds:	1
MolWt:	460.66	Num_heavy_atoms:	33
TPSA:	68.15	NumAromaticRings:	0