GD118970

Name:

6-{6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-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]-16-(hydroxymethyl)-7,7,12-trimethylpentacyclo[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:

C60H95O23N

Smiles:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12CO)C(O)=NC1C(=O)OC(C)C1C

Aglycone:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CO)C(O)=NC1C(=O)OC(C)C1C

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0312496

AD47609

Formula: C36H55O5N

Smiles:

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CO)C(O)=NC1C(=O)OC(C)C1C

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.83
AlogP:	6.8	Num_rotatable_bonds:	6
MolWt:	581.84	Num_heavy_atoms:	42
TPSA:	99.35	NumAromaticRings:	0