GD010431

Name:

None

Formula:

C50H83O66NS14

Smiles:

CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@@H]3C[C@H](OS(=O)(=O)O)CC[C@]32C)[C@@H]2CC[C@H]([C@H](C)CCC(=O)N[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](O[C@@H]4O[C@H](COS(=O)(=O)O)[C@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[C@H](O[C@@H]6O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]6OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]4OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@@]21C

Aglycone:

CC(=O)OC1CC2C(CCC3CC(OS(=O)(=O)O)CCC32C)C2CCC(C(C)CCC(N)=O)C12C.COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

OC1OC(OC2C(O)OC(OC3C(O)OC(OC4C(O)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2078901

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

AD08051

Formula: C26H43O7NS

Smiles:

CC(=O)OC1CC2C(CCC3CC(OS(=O)(=O)O)CCC32C)C2CCC(C(C)CCC(N)=O)C12C

HBA:	8	RingCount:	4
HBD:	3	FractionCSP3:	0.92
AlogP:	4.28	Num_rotatable_bonds:	7
MolWt:	513.7	Num_heavy_atoms:	35
TPSA:	132.99	NumAromaticRings:	0