GD144532

Name:

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

Formula:

C58H96O26

Smiles:

CCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4CCC5(C)C(CCC6C5CCC5(C)C6CC6OC7(CCC(C)CO7)C(C)C65)C4)C(O)C3O)C2OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0235280

AD01572

Formula: C27H44O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	1.0
AlogP:	5.79	Num_rotatable_bonds:	0
MolWt:	416.65	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0