GD144010

Name:

16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(1-hydroxy-3-methyl-4-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}butyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-10-one

Formula:

C46H76O19

Smiles:

CC(COC1CC(CO)C(O)C(O)C1O)CC(O)C1OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C

Aglycone:

CC(COC1CC(CO)C(O)C(O)C1O)CC(O)C1OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0097854

AD57896

Formula: C34H56O9

Smiles:

CC(COC1CC(CO)C(O)C(O)C1O)CC(O)C1OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

HBA:	9	RingCount:	6
HBD:	6	FractionCSP3:	0.97
AlogP:	2.07	Num_rotatable_bonds:	7
MolWt:	608.81	Num_heavy_atoms:	43
TPSA:	156.91	NumAromaticRings:	0