GD136414

Name:

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

Formula:

C44H70O18

Smiles:

CC(=O)OC1COC(OC2CC3(C)C(CC4OC(O)(CCC(C)COC5OC(CO)C(O)C(O)C5O)C(C)C43)C3CCC4CC(O)C(O)CC4(C)C23)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4C(O)CC3(C)C2C1C

Sugarmoiety:

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

Other Identifiers

• CNP0291663

AD55143

Formula: C27H46O6

Smiles:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4C(O)CC3(C)C2C1C

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	1.0
AlogP:	2.69	Num_rotatable_bonds:	4
MolWt:	466.66	Num_heavy_atoms:	33
TPSA:	110.38	NumAromaticRings:	0