GD127119

Name:

16'-({5-[(3,4-dihydroxy-5-{[4-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,5,6-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one

Formula:

C56H90O27

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8OC8OC(O)C(O)CC8O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(OC3OC(O)C(O)CC3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0300536

AD01186

Formula: C27H42O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.96
AlogP:	4.97	Num_rotatable_bonds:	0
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	55.76	NumAromaticRings:	0