GD119569

Name:

6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-16-oxo-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:

C46H70O19

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)CC1=O

Aglycone:

CC(=O)OC1CC2(C)C(CCC3C4CC5OC(O)(CCC(C)CO)C(C)C5C4(C)CC(O)C32)CC1=O

Sugarmoiety:

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

Other Identifiers

• CNP0143007

AD47930

Formula: C29H46O7

Smiles:

CC(=O)OC1CC2(C)C(CCC3C4CC5OC(O)(CCC(C)CO)C(C)C5C4(C)CC(O)C32)CC1=O

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	3.47	Num_rotatable_bonds:	5
MolWt:	506.68	Num_heavy_atoms:	36
TPSA:	113.29	NumAromaticRings:	0