GD123282

Name:

2-{[4-hydroxy-6-(hydroxymethyl)-2-(5,7',9',13'-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-2',8'-dioloxy)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C50H80O24

Smiles:

CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3(O)C4CC=C5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C

Aglycone:

CC1COC2(CC1O)OC1CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0309232

AD49733

Formula: C27H42O6

Smiles:

CC1COC2(CC1O)OC1CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	2.91	Num_rotatable_bonds:	0
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0