GD003738

Name:

None

Formula:

C68H99O36NCl2

Smiles:

COCC1OC(OC2OCC3OC4(OCC(O)(C(C)OC)C5OCOC54)OC3C2OC)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2OC(C)C3OC4(CC(O)C(OC5CC(OC6CC(C)([N+](=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)OC3(C)C2O)C1O

Aglycone:

CC1OC2(CC(O)C1O)OC1C(C)OC(O)C(O)C1(C)O2.COC1C(C)OC(O)CC1(C)[N+](=O)[O-].COC1C(O)OCC2OC3(OCC(O)(C(C)OC)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

• CHEMBL1979502

AD01374

Formula: C13H22O8

Smiles:

CC1OC2(CC(O)C1O)OC1C(C)OC(O)C(O)C1(C)O2

HBA:	8	RingCount:	3
HBD:	4	FractionCSP3:	1.0
AlogP:	-1.56	Num_rotatable_bonds:	0
MolWt:	306.31	Num_heavy_atoms:	21
TPSA:	117.84	NumAromaticRings:	0

AD01375

Formula: C8H15O5N

Smiles:

COC1C(C)OC(O)CC1(C)[N+](=O)[O-]

HBA:	6	RingCount:	1
HBD:	1	FractionCSP3:	1.0
AlogP:	0.16	Num_rotatable_bonds:	2
MolWt:	205.21	Num_heavy_atoms:	14
TPSA:	81.83	NumAromaticRings:	0

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

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