GD147231

Name:

4-(acetyloxy)-6-({16-hydroxy-6-methoxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl acetate

Formula:

C49H76O20

Smiles:

C=C(CCC1(OC)OC2CC3C4CC=C5CC(O)CC(OC6OCC(OC(C)=O)C(OC(C)=O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC(=O)OC1COC(O)C(OC2OC(C)C(O)C(O)C2O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0242131

AD47925

Formula: C28H44O5

Smiles:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.86
AlogP:	4.21	Num_rotatable_bonds:	5
MolWt:	460.66	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0