GD129302

Name:

None

Formula:

C65H95O34NCl2

Smiles:

COCC1OC(OC2OCC3OC4(OCC(O)C5OCOC54)OC3C2OC)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(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)c6OC)C(C)O5)C(C)O4)OC3C(C)O2)C1O

Aglycone:

CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2.COC1C(C)OC(O)CC1(C)[NH+]([O-])O.COC1C(O)OCC2OC3(OCC(O)C4OCOC43)OC21.COc1c(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

• CNP0451604

AD01435

Formula: C11H8O4Cl2

Smiles:

COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.22
AlogP:	2.71	Num_rotatable_bonds:	2
MolWt:	251.06	Num_heavy_atoms:	15
TPSA:	66.76	NumAromaticRings:	1

AD23887

Formula: C13H22O7

Smiles:

CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2

HBA:	7	RingCount:	3
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.53	Num_rotatable_bonds:	0
MolWt:	290.31	Num_heavy_atoms:	20
TPSA:	97.61	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

AD52388

Formula: C12H18O9

Smiles:

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

HBA:	9	RingCount:	4
HBD:	2	FractionCSP3:	1.0
AlogP:	-2.08	Num_rotatable_bonds:	1
MolWt:	306.27	Num_heavy_atoms:	21
TPSA:	105.07	NumAromaticRings:	0