GD018011

Name:

None

Formula:

C51H84O42N6S5

Smiles:

CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](C(=O)O)O[C@H](O[C@@H]3[C@H](NC(C)=O)[C@H](O[C@@H]4[C@H](C(=O)O)O[C@H](OCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)[C@H](O)[C@H]4O)O[C@H](COS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@H](O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1O

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCC(=O)NCCO.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

CC(=O)NC1C(OC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C(O)C2O)OC(O)OC1OC1C(C(=O)O)OC(O)C(O)C1O

Other Identifiers

• CHEMBL1962401

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0

AD03558

Formula: C23H42O8N4S

Smiles:

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCC(=O)NCCO

HBA:	12	RingCount:	2
HBD:	5	FractionCSP3:	0.87
AlogP:	-0.61	Num_rotatable_bonds:	22
MolWt:	534.68	Num_heavy_atoms:	36
TPSA:	156.48	NumAromaticRings:	0