GD145176

Name:

4-(8-hydroxy-16-{[4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl)-2-methylbutyl acetate

Formula:

C48H80O20

Smiles:

COC1(CCC(C)COC(C)=O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2(O)C1C

Aglycone:

COC1(CCC(C)COC(C)=O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2(O)C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0183014

AD45511

Formula: C30H50O6

Smiles:

COC1(CCC(C)COC(C)=O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2(O)C1C

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.97
AlogP:	5.09	Num_rotatable_bonds:	6
MolWt:	506.72	Num_heavy_atoms:	36
TPSA:	85.22	NumAromaticRings:	0