GD121001

Name:

16'-({5-[(3-{[5-hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]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]icosane]-15',18',19'-triol

Formula:

C50H82O26

Smiles:

CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(OO)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OC(CO)C(OO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0217161

AD46862

Formula: C27H44O6

Smiles:

CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	2.85	Num_rotatable_bonds:	0
MolWt:	464.64	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0