GD144781

Name:

2-{3-[1-(5,9-dihydroxy-10,14-dimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-15-yl)ethyl]-5,6,6-trimethyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl}-2-hydroxy-1-(methylsulfanyl)ethan-1-one

Formula:

C44H70O19S

Smiles:

CSC(=O)C(O)C12OC(C(C)C3CCC4C5C6OC6C6(O)CC(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)CC(O)C6(C)C5CCC34C)CC(C)(O1)C(C)(C)O2

Aglycone:

CSC(=O)C(O)C12OC(C(C)C3CCC4C5C6OC6C6(O)CC(O)CC(O)C6(C)C5CCC34C)CC(C)(O1)C(C)(C)O2

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0290609

AD58156

Formula: C32H50O9S

Smiles:

CSC(=O)C(O)C12OC(C(C)C3CCC4C5C6OC6C6(O)CC(O)CC(O)C6(C)C5CCC34C)CC(C)(O1)C(C)(C)O2

HBA:	9	RingCount:	7
HBD:	4	FractionCSP3:	0.97
AlogP:	2.99	Num_rotatable_bonds:	4
MolWt:	610.81	Num_heavy_atoms:	42
TPSA:	138.21	NumAromaticRings:	0