GD131862

Name:

2-{[11,14-dihydroxy-6-methoxy-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-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:

C46H76O21

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4C(O)CC3(C)C2C1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1C

Sugarmoiety:

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

Other Identifiers

• CNP0118301

AD46208

Formula: C28H46O6

Smiles:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1C

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	3.26	Num_rotatable_bonds:	5
MolWt:	478.67	Num_heavy_atoms:	34
TPSA:	99.38	NumAromaticRings:	0