GD137514

Name:

2-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-18',19'-dioloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C44H72O18

Smiles:

CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC6OC(CO)C(O)C(OC7OCC(O)(CO)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0120735

AD49725

Formula: C27H44O5

Smiles:

CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	3.88	Num_rotatable_bonds:	0
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0