GD137240

Name:

4,5-bis(acetyloxy)-6-({4,5-dihydroxy-2-[3,4,16'-trihydroxy-7'-(hydroxymethyl)-5,13'-dimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-3'-oneoxy]oxan-3-yl}oxy)-2-methyloxan-3-yl acetate

Formula:

C43H60O19

Smiles:

CC(=O)OC1C(C)OC(OC2C(OC3CC(O)CC4=CCC5C6=C(CCC5C43C)C3C(OC4(OCC(C)C(O)C4O)C3CO)C6=O)OCC(O)C2O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CNP0147313

AD48038

Formula: C26H36O8

Smiles:

CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1O

HBA:	8	RingCount:	6
HBD:	5	FractionCSP3:	0.81
AlogP:	0.45	Num_rotatable_bonds:	1
MolWt:	476.57	Num_heavy_atoms:	34
TPSA:	136.68	NumAromaticRings:	0