GD123968

Name:

None

Formula:

C67H99O34NCl2

Smiles:

COCC1OC(OC2OCC3OC4(OCC(O)(C(C)OC)C5OCOC54)OC3C2OC)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3OC4(CC(O)C(OC5CC(OC6CC(C)([NH+]([O-])O)C(OC)C(C)O6)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6C)C(C)O5)C(C)O4)OC3C(C)O2)C1O

Aglycone:

CC1OC2(CC(O)C1O)OC1CC(O)OC(C)C1O2.COC1C(C)OC(O)CC1(C)[NH+]([O-])O.COC1C(O)OCC2OC3(OCC(O)(C(C)OC)C4OCOC43)OC21.Cc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O

Sugarmoiety:

CC1OC(O)CC(O)C1O.COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1O

Other Identifiers

• CNP0446438

AD03352

Formula: C15H24O10

Smiles:

COC1C(O)OCC2OC3(OCC(O)(C(C)OC)C4OCOC43)OC21

HBA:	10	RingCount:	4
HBD:	2	FractionCSP3:	1.0
AlogP:	-1.67	Num_rotatable_bonds:	3
MolWt:	364.35	Num_heavy_atoms:	25
TPSA:	114.3	NumAromaticRings:	0

AD49644

Formula: C8H17O5N

Smiles:

COC1C(C)OC(O)CC1(C)[NH+]([O-])O

HBA:	6	RingCount:	1
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.34	Num_rotatable_bonds:	2
MolWt:	207.23	Num_heavy_atoms:	14
TPSA:	86.42	NumAromaticRings:	0

AD50056

Formula: C12H20O7

Smiles:

CC1OC2(CC(O)C1O)OC1CC(O)OC(C)C1O2

HBA:	7	RingCount:	3
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.92	Num_rotatable_bonds:	0
MolWt:	276.28	Num_heavy_atoms:	19
TPSA:	97.61	NumAromaticRings:	0

AD50057

Formula: C11H8O3Cl2

Smiles:

Cc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.22
AlogP:	3.01	Num_rotatable_bonds:	1
MolWt:	235.07	Num_heavy_atoms:	14
TPSA:	57.53	NumAromaticRings:	1