GD129928

Name:

4,5-bis(acetyloxy)-6-{[2-(4-{[9,10-dihydroxy-2-(2-hydroxybutan-2-yl)-6-methyl-3-oxo-1,4,7-trioxaspiro[4.5]decan-8-yl]oxy}-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy)-4,5-dihydroxyoxan-3-yl]oxy}-2-methyloxan-3-yl acetate

Formula:

C56H82O24

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(O)C7OC7OC(C)C(OC(C)=O)C(OC(C)=O)C7OC(C)=O)C6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(C)C2(OC(=O)C(C(C)(O)CC)O2)C(O)C1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(C)C2(OC(=O)C(C(C)(O)CC)O2)C(O)C1O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OCC(O)C2O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0163705

AD52640

Formula: C39H58O13

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(C)C2(OC(=O)C(C(C)(O)CC)O2)C(O)C1O

HBA:	13	RingCount:	8
HBD:	6	FractionCSP3:	0.87
AlogP:	1.84	Num_rotatable_bonds:	4
MolWt:	734.88	Num_heavy_atoms:	52
TPSA:	193.83	NumAromaticRings:	0