GD138961

Name:

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

Formula:

C56H92O26

Smiles:

CC1CCC2(OC1)OC1CCC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CCC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0181483

AD50934

Formula: C28H46O3

Smiles:

CC1CCC2(OC1)OC1CCC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	1.0
AlogP:	6.18	Num_rotatable_bonds:	0
MolWt:	430.67	Num_heavy_atoms:	31
TPSA:	38.69	NumAromaticRings:	0