GD135547

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]icos-17-en-15-yl acetate

Formula:

C46H68O19

Smiles:

CC(=O)OC1CC2(C)C(=CC1=O)CCC1C2C(OC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC2(C)C1CC1OC(O)(CCC(C)COC3OC(CO)C(O)C(O)C3O)C(C)C12

Aglycone:

CC(=O)OC1CC2(C)C(=CC1=O)CCC1C2C(O)CC2(C)C1CC1OC(O)(CCC(C)CO)C(C)C12

Sugarmoiety:

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

Other Identifiers

• CNP0262956

AD54805

Formula: C29H44O7

Smiles:

CC(=O)OC1CC2(C)C(=CC1=O)CCC1C2C(O)CC2(C)C1CC1OC(O)(CCC(C)CO)C(C)C12

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.86
AlogP:	3.39	Num_rotatable_bonds:	5
MolWt:	504.66	Num_heavy_atoms:	36
TPSA:	113.29	NumAromaticRings:	0