GD133976

Name:

6-{[5-carboxy-6-(methoxymethyl)-1,8,21,21,26-pentamethyl-17-[(methylamino)methyl]-2-(3-oxopropyl)heptacyclo[16.6.2.1⁸,¹².0²,¹³.0⁵,¹².0¹⁵,²⁵.0²²,²⁶]heptacosa-10,13-dien-20-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:

C46H69O11N

Smiles:

CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(OC6OC(C(=O)O)C(O)C(O)C6O)CC1C4(C)C23)C5

Aglycone:

CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(O)CC1C4(C)C23)C5

Sugarmoiety:

O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0093559

AD54203

Formula: C40H61O5N

Smiles:

CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(O)CC1C4(C)C23)C5

HBA:	6	RingCount:	7
HBD:	3	FractionCSP3:	0.85
AlogP:	7.07	Num_rotatable_bonds:	8
MolWt:	635.93	Num_heavy_atoms:	46
TPSA:	95.86	NumAromaticRings:	0