GD129323

Name:

16-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-19-one

Formula:

C49H80O23

Smiles:

CC(CCC1(O)OC2CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

OC1COC(OCC2OC(O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0268535

AD51561

Formula: C27H44O5

Smiles:

CC(CO)CCC1(O)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.96
AlogP:	3.93	Num_rotatable_bonds:	4
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	86.99	NumAromaticRings:	0