GD145578

Name:

None

Formula:

C53H84O25S

Smiles:

C=C(C)C(O)CCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(OS(=O)(=O)O)C(O)C6OC6OC(C)C(OC7OCC(OC8OC(CO)C(O)C(OC)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2

Aglycone:

C=C(C)C(O)CCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2.O=S(=O)(O)O

Sugarmoiety:

COC1C(O)C(CO)OC(OC2COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C(O)C2O)C1O

Other Identifiers

• CNP0466945

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

AD57779

Formula: C30H46O5

Smiles:

C=C(C)C(O)CCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.83
AlogP:	4.94	Num_rotatable_bonds:	5
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0