GD146609

Name:

3,5-dihydroxy-2-[(4-hydroxy-2-{[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]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxan-4-yl acetate

Formula:

C53H86O23

Smiles:

CC(=O)OC1C(O)C(C)OC(OC2C(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC(O)(CCC(C)COC6OC(CO)C(O)C(O)C6O)C(C)C54)C3)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C1O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(O)C(C)OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0235750

AD01953

Formula: C27H44O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.67	Num_rotatable_bonds:	4
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0