GD146184

Name:

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 16-hydroxy-18-(3-hydroxyprop-1-en-2-yl)-1,2,17-trimethyl-14-oxo-8-(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.0²,¹⁰.0⁵,⁹.0¹⁷,²¹]henicosane-5-carboxylate

Formula:

C48H74O20

Smiles:

C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)CO)CCC3(C)C45)C12

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)CO)CCC3(C)C45)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0109313

AD58630

Formula: C30H44O6

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)CO)CCC3(C)C45)C12

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.8
AlogP:	4.74	Num_rotatable_bonds:	4
MolWt:	500.68	Num_heavy_atoms:	36
TPSA:	104.06	NumAromaticRings:	0