GD124106

Name:

[16'-(acetyloxy)-14'-[(4,5-dihydroxy-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-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(OC(C)=O)CC(OC4OCC(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(OC(C)=O)CC(O)C2(C)C1CC3

Sugarmoiety:

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

Other Identifiers

• CNP0185970

AD50112

Formula: C30H40O10

Smiles:

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

HBA:	10	RingCount:	6
HBD:	3	FractionCSP3:	0.77
AlogP:	1.59	Num_rotatable_bonds:	3
MolWt:	560.64	Num_heavy_atoms:	40
TPSA:	148.82	NumAromaticRings:	0