GD135978

Name:

None

Formula:

C62H114O22N2

Smiles:

CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(O)C(N=C(O)COC3OC(C)C(O)C(O)C3O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C=CCCCCCCCCCC(C)C

Aglycone:

CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCCC(C)C.COC1(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0431790

AD46136

Formula: C12H21O10N

Smiles:

COC1(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1

HBA:	11	RingCount:	1
HBD:	7	FractionCSP3:	0.83
AlogP:	-3.4	Num_rotatable_bonds:	7
MolWt:	339.3	Num_heavy_atoms:	23
TPSA:	189.5	NumAromaticRings:	0

AD54973

Formula: C39H77O4N

Smiles:

CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCCC(C)C

HBA:	5	RingCount:	0
HBD:	4	FractionCSP3:	0.92
AlogP:	11.18	Num_rotatable_bonds:	34
MolWt:	624.05	Num_heavy_atoms:	44
TPSA:	93.28	NumAromaticRings:	0