GD115916

Name:

16-({5-[(3-{[2,4-dihydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]cyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-7,9,13-trimethyl-5'-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

Formula:

C59H97O28N

Smiles:

CC(=O)OC1CC(COC2OC(CO)C(O)C(O)C2O)CNC12OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7CC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC(=O)OC1CC(CO)CNC12OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.OCC1CC(O)C(O)C(O)C1O

Sugarmoiety:

OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0216883

AD03629

Formula: C29H47O5N

Smiles:

CC(=O)OC1CC(CO)CNC12OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.97
AlogP:	3.88	Num_rotatable_bonds:	2
MolWt:	489.7	Num_heavy_atoms:	35
TPSA:	88.02	NumAromaticRings:	0

AD07534

Formula: C7H14O5

Smiles:

OCC1CC(O)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	5	FractionCSP3:	1.0
AlogP:	-2.56	Num_rotatable_bonds:	1
MolWt:	178.18	Num_heavy_atoms:	12
TPSA:	101.15	NumAromaticRings:	0