GD146651

Name:

{6-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9,13-dimethyl-17-oxo-14-[(5-oxooxolan-3-yl)methyl]tetracyclo[11.3.1.0¹,¹⁰.0⁴,⁹]heptadecan-5-yl}methyl acetate

Formula:

C52H82O24

Smiles:

COC1CC(OC2CCC3(C)C(CCC45CCC(CC6COC(=O)C6)C(C)(CCC43)C5=O)C2COC(C)=O)OC(C)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC(=O)OCC1C(O)CCC2(C)C1CCC13CCC(CC4COC(=O)C4)C(C)(CCC12)C3=O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0391593

AD58784

Formula: C27H40O6

Smiles:

CC(=O)OCC1C(O)CCC2(C)C1CCC13CCC(CC4COC(=O)C4)C(C)(CCC12)C3=O

HBA:	6	RingCount:	5
HBD:	1	FractionCSP3:	0.89
AlogP:	4.07	Num_rotatable_bonds:	4
MolWt:	460.61	Num_heavy_atoms:	33
TPSA:	89.9	NumAromaticRings:	0