GD135034

Name:

14'-[(4,5-dihydroxy-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl)oxy]-3,16'-dihydroxy-7'-(hydroxymethyl)-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-4-yl acetate

Formula:

C45H62O20

Smiles:

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

Aglycone:

CC(=O)OC1C(C)COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C1O

Sugarmoiety:

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

Other Identifiers

• CNP0316723

AD20761

Formula: C28H38O9

Smiles:

CC(=O)OC1C(C)COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C1O

HBA:	9	RingCount:	6
HBD:	4	FractionCSP3:	0.79
AlogP:	1.02	Num_rotatable_bonds:	2
MolWt:	518.6	Num_heavy_atoms:	37
TPSA:	142.75	NumAromaticRings:	0