GD123075

Name:

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

Formula:

C46H72O19

Smiles:

C=C(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OC6OCC(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(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC(=O)OC1C(O)COC(O)C1OC1OC(C)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0169627

AD45269

Formula: C27H42O5

Smiles:

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

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.85
AlogP:	3.56	Num_rotatable_bonds:	4
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	90.15	NumAromaticRings:	0