GD125446

Name:

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

Formula:

C50H82O23

Smiles:

CC1COC2(OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

Aglycone:

CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0076468

AD10216

Formula: C27H44O4

Smiles:

CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	4.76	Num_rotatable_bonds:	0
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0