GD124504

Name:

16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-15-hydroxy-6-methoxy-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:

C57H94O30

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CC(=O)C3(C)C2C1C

Aglycone:

COC1(CCC(C)CO)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)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0181079

AD50299

Formula: C28H46O6

Smiles:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CC(=O)C3(C)C2C1C

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.96
AlogP:	3.55	Num_rotatable_bonds:	5
MolWt:	478.67	Num_heavy_atoms:	34
TPSA:	96.22	NumAromaticRings:	0