GD143536

Name:

2-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3,4-dioloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C45H74O19

Smiles:

CC1COC2(OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1O

Aglycone:

CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1O

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0166242

AD49408

Formula: C27H44O5

Smiles:

CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1O

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	3.74	Num_rotatable_bonds:	0
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0