GD137851

Name:

2-[({5-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)methyl]-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}oxane-3,4,5-triol

Formula:

C55H92O27

Smiles:

CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(COC7OC(C)C(OC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(O)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0218231

AD48059

Formula: C26H44O4

Smiles:

CC(O)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	1.0
AlogP:	4.5	Num_rotatable_bonds:	3
MolWt:	420.63	Num_heavy_atoms:	30
TPSA:	69.92	NumAromaticRings:	0