GD141557

Name:

{7-[(5-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]henicos-4-en-10-yl}methyl acetate

Formula:

C57H90O24

Smiles:

COC1CC(OC2CCC3(COC(C)=O)C(=CCC4C3CCC3(C)C5C6COC5(C)OC43O6)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:

CC(=O)OCC12CCC(O)CC1=CCC1C2CCC2(C)C3C4COC3(C)OC12O4

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0236370

AD15973

Formula: C23H32O6

Smiles:

CC(=O)OCC12CCC(O)CC1=CCC1C2CCC2(C)C3C4COC3(C)OC12O4

HBA:	6	RingCount:	6
HBD:	1	FractionCSP3:	0.87
AlogP:	2.93	Num_rotatable_bonds:	2
MolWt:	404.5	Num_heavy_atoms:	29
TPSA:	74.22	NumAromaticRings:	0