GD118450

Name:

(14'-{[5-(acetyloxy)-4-hydroxy-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,16'-trihydroxy-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-7'-yl)methyl acetate

Formula:

C47H64O21

Smiles:

CC(=O)OCC1C2C3=C(C(=O)C2OC12OCC(C)C(O)C2O)C1CC=C2CC(O)CC(OC4OCC(OC(C)=O)C(O)C4OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C2(C)C1CC3

Aglycone:

CC(=O)OCC1C2C3=C(C(=O)C2OC12OCC(C)C(O)C2O)C1CC=C2CC(O)CC(O)C2(C)C1CC3

Sugarmoiety:

CC(=O)OC1COC(O)C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1O

Other Identifiers

• CNP0177408

AD17712

Formula: C28H38O9

Smiles:

CC(=O)OCC1C2C3=C(C(=O)C2OC12OCC(C)C(O)C2O)C1CC=C2CC(O)CC(O)C2(C)C1CC3

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