GD119257

Name:

Ju-2

Formula:

C73H117O20N2P

Smiles:

CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC1OC(CO)C(OC2OC(COP(=O)(O)NC(Cc3ccccc3)C(O)=NC(Cc3ccccc3)C(=O)O)C(O)C(O)C2O)C(O)C1O

Aglycone:

CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCC=CCCCCCCCC.COP(=O)(O)NC(Cc1ccccc1)C(O)=NC(Cc1ccccc1)C(=O)O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0351602

AD47746

Formula: C43H78O5

Smiles:

CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCC=CCCCCCCCC

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.81
AlogP:	12.85	Num_rotatable_bonds:	37
MolWt:	675.09	Num_heavy_atoms:	48
TPSA:	72.83	NumAromaticRings:	0

AD47747

Formula: C19H23O6N2P

Smiles:

COP(=O)(O)NC(Cc1ccccc1)C(O)=NC(Cc1ccccc1)C(=O)O

HBA:	8	RingCount:	2
HBD:	4	FractionCSP3:	0.26
AlogP:	2.59	Num_rotatable_bonds:	10
MolWt:	406.38	Num_heavy_atoms:	28
TPSA:	128.45	NumAromaticRings:	2