GD131625

Name:

16'-({5-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one

Formula:

C55H88O28

Smiles:

CC1COC2(OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(O)C7O)CCC6(C)C5CC(=O)C4(C)C3C2C)C(O)C1

Aglycone:

CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CC(=O)C4(C)C3C2C)C(O)C1

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0075547

AD51327

Formula: C27H42O5

Smiles:

CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CC(=O)C4(C)C3C2C)C(O)C1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.96
AlogP:	3.94	Num_rotatable_bonds:	0
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	75.99	NumAromaticRings:	0