GD147723

Name:

None

Formula:

C91H163O37N3

Smiles:

CCCCCCCCCCCCCCCC=CCC(O)C(O)C(N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC)OC1OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(CC(=O)CC)C(C(O)C(CO)OC)O3)C(O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(CO)OC)O4)C3N=C(C)O)C2O)C(O)C1O

Aglycone:

CCC(=O)CC1C(O)CC(OC)(C(=O)O)OC1C(O)C(CO)OC.CCCCCCCCCCCCCCCC=CCC(O)C(O)C(O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC.COC(CO)C(O)C1OC(O)(C(=O)O)CC(O)C1N=C(O)CO

Sugarmoiety:

CC(O)=NC1C(OC2C(O)C(O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CNP0434475

AD53743

Formula: C45H89O5N

Smiles:

CCCCCCCCCCCCCCCC=CCC(O)C(O)C(O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC

HBA:	6	RingCount:	0
HBD:	5	FractionCSP3:	0.93
AlogP:	12.98	Num_rotatable_bonds:	41
MolWt:	724.21	Num_heavy_atoms:	51
TPSA:	113.51	NumAromaticRings:	0

AD53993

Formula: C12H21O10N

Smiles:

COC(CO)C(O)C1OC(O)(C(=O)O)CC(O)C1N=C(O)CO

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

AD59153

Formula: C15H26O9

Smiles:

CCC(=O)CC1C(O)CC(OC)(C(=O)O)OC1C(O)C(CO)OC

HBA:	9	RingCount:	1
HBD:	4	FractionCSP3:	0.87
AlogP:	-1.08	Num_rotatable_bonds:	9
MolWt:	350.36	Num_heavy_atoms:	24
TPSA:	142.75	NumAromaticRings:	0