GD123695

Name:

2-{4-[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)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-6-yl]-2-methylbutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C49H80O21

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C12

Aglycone:

CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12

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

• CNP0148391

AD16454

Formula: C27H44O3

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.93
AlogP:	5.7	Num_rotatable_bonds:	4
MolWt:	416.65	Num_heavy_atoms:	30
TPSA:	49.69	NumAromaticRings:	0