GD139919

Name:

4-(carbamoyloxy)-6-[({2-carboxy-2-[(3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl)oxy]ethoxy}(hydroxy)phosphoryl)oxy]-5-[(3-acetamido-5-{[3-acetamido-4-hydroxy-6-methyl-5-({3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl}oxy)oxan-2-yl]oxy}-4-hydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-3-hydroxy-3-methyloxane-2-carboxylic acid

Formula:

C69H107O35N4P

Smiles:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1OC(C(=O)O)C(C)(O)C(OC(=N)O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C(O)=NC4=C(O)CCC4=O)C(O)C(O)C3O)C(O)C2N=C(C)O)C(O)C1N=C(C)O)C(=O)O

Aglycone:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O.O=C1CCC(O)=C1N=CO

Sugarmoiety:

CC(O)=NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(=O)O)C(C)(O)C3OC(=N)O)C(N=C(C)O)C2O)OC(C)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0041898

AD10969

Formula: C28H47O7P

Smiles:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	0.61
AlogP:	7.29	Num_rotatable_bonds:	19
MolWt:	526.65	Num_heavy_atoms:	36
TPSA:	113.29	NumAromaticRings:	0

AD45895

Formula: C6H7O3N

Smiles:

O=C1CCC(O)=C1N=CO

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.33
AlogP:	0.71	Num_rotatable_bonds:	1
MolWt:	141.13	Num_heavy_atoms:	10
TPSA:	69.89	NumAromaticRings:	0