GD144261

Name:

16-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6,15-dihydroxy-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-10-one

Formula:

C51H84O26

Smiles:

CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CC(=O)C3(C)C2C1C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0247892

AD57992

Formula: C27H44O6

Smiles:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CC(=O)C3(C)C2C1C

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.96
AlogP:	2.9	Num_rotatable_bonds:	4
MolWt:	464.64	Num_heavy_atoms:	33
TPSA:	107.22	NumAromaticRings:	0