GD115174

Name:

4-(2,8-dihydroxy-16-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-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:

C47H78O20

Smiles:

COC1(CCC(C)COC(C)=O)OC2CC3(O)C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2(O)C1C

Aglycone:

COC1(CCC(C)COC(C)=O)OC2CC3(O)C4CCC5CC(O)CCC5(C)C4CCC3(C)C2(O)C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0239595

AD45509

Formula: C30H50O7

Smiles:

COC1(CCC(C)COC(C)=O)OC2CC3(O)C4CCC5CC(O)CCC5(C)C4CCC3(C)C2(O)C1C

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.97
AlogP:	4.2	Num_rotatable_bonds:	6
MolWt:	522.72	Num_heavy_atoms:	37
TPSA:	105.45	NumAromaticRings:	0