GD118371

Name:

Ac 326-Alpha

Formula:

C69H108O35N5P

Smiles:

C=C(CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1OC(C(=N)O)C(C)(O)C(OC(=N)O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)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)CC1C(=C)CCCC1(C)C

Aglycone:

C=C(CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O)CC1C(=C)CCCC1(C)C.O=C1CCC(O)=C1N=CO

Sugarmoiety:

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

Other Identifiers

• CNP0073786

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

AD47322

Formula: C28H47O7P

Smiles:

C=C(CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O)CC1C(=C)CCCC1(C)C

HBA:	7	RingCount:	1
HBD:	3	FractionCSP3:	0.68
AlogP:	6.98	Num_rotatable_bonds:	16
MolWt:	526.65	Num_heavy_atoms:	36
TPSA:	113.29	NumAromaticRings:	0