GD131203

Name:

6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-11-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-15-yl acetate

Formula:

C46H72O19

Smiles:

CC(=O)OC1CC2(C)C(CCC3C4CC5OC(O)(CCC(C)COC6OC(CO)C(O)C(O)C6O)C(C)C5C4(C)CC(OC4OCC(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C32)CC1O

Aglycone:

CC(=O)OC1CC2(C)C(CCC3C4CC5OC(O)(CCC(C)CO)C(C)C5C4(C)CC(O)C32)CC1O

Sugarmoiety:

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0156204

AD53164

Formula: C29H48O7

Smiles:

CC(=O)OC1CC2(C)C(CCC3C4CC5OC(O)(CCC(C)CO)C(C)C5C4(C)CC(O)C32)CC1O

HBA:	7	RingCount:	5
HBD:	4	FractionCSP3:	0.97
AlogP:	3.26	Num_rotatable_bonds:	5
MolWt:	508.7	Num_heavy_atoms:	36
TPSA:	116.45	NumAromaticRings:	0