GD132630

Name:

5-{16'-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-yloxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula:

C56H90O28

Smiles:

CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(OC(=O)CC(C)(O)CC(=O)O)CC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)C(OC(=O)CC(C)(O)CC(=O)O)CC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0257605

AD53699

Formula: C33H52O9

Smiles:

CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)C(OC(=O)CC(C)(O)CC(=O)O)CC5(C)C4CCC3(C)C1C2C

HBA:	9	RingCount:	6
HBD:	4	FractionCSP3:	0.94
AlogP:	3.9	Num_rotatable_bonds:	5
MolWt:	592.77	Num_heavy_atoms:	42
TPSA:	142.75	NumAromaticRings:	0