GD144094

Name:

6-[6-({5-[(3-{[6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-N-(4,5-dimethyl-2-oxooxolan-3-yl)-2-methylhepta-2,4-dienamide

Formula:

C65H103O26N

Smiles:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OCC(OC6OC(C)C(O)C(O)C6OC6OC(COC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1C

Aglycone:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1C

Sugarmoiety:

CC1OC(OC2C(OCC3OC(OC4C(OC5COC(O)C(O)C5O)OC(C)C(O)C4O)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0284874

AD50665

Formula: C36H55O4N

Smiles:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.83
AlogP:	7.83	Num_rotatable_bonds:	5
MolWt:	565.84	Num_heavy_atoms:	41
TPSA:	79.12	NumAromaticRings:	0