GD148581

Name:

9-({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-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-1,5',11a,13a-tetramethyl-octadecahydro-1H-spiro[chryseno[2,1-b]furan-2,2'-oxan]-13-one

Formula:

C57H92O28

Smiles:

CC1CCC2(OC1)OC1CCC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CCC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0095196

AD56608

Formula: C28H44O4

Smiles:

CC1CCC2(OC1)OC1CCC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.96
AlogP:	5.36	Num_rotatable_bonds:	0
MolWt:	444.66	Num_heavy_atoms:	32
TPSA:	55.76	NumAromaticRings:	0