GD129046

Name:

2-({2-[(2-{[3,5-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]-15',16'-dioloxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)oxane-3,4,5-triol

Formula:

C50H82O24

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C7O)C6O)C5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(O)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CNP0213868

AD46551

Formula: C27H44O5

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C

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