GD134104

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]-15-hydroxy-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one

Formula:

C40H62O19

Smiles:

C=C1C(=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)C4CCC3(C)C12

Aglycone:

C=C1C(=O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C12

Sugarmoiety:

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

Other Identifiers

• CNP0199869

AD54255

Formula: C22H32O4

Smiles:

C=C1C(=O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C12

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.86
AlogP:	3.07	Num_rotatable_bonds:	0
MolWt:	360.49	Num_heavy_atoms:	26
TPSA:	66.76	NumAromaticRings:	0