GD146729

Name:

6-{6-[(3-{[6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-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:

C72H115O32N

Smiles:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(COC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(C)C(O)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(CO)OC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0085971

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