GD119435

Name:

16-({5-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,6-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:

C69H114O40

Smiles:

CC(CCC1(O)OC2C(O)C3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2C(O)C3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0066973

AD47848

Formula: C27H44O6

Smiles:

CC(CO)CCC1(O)OC2C(O)C3C4CCC5CC(O)CCC5(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