GD116883

Name:

None

Formula:

C60H96O31S

Smiles:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CC=CC(C)(C)O)C8CCC9(C)C7CCC6C5(C)C)OCC(OC5OC(COS(=O)(=O)O)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O

Aglycone:

CC(C)(O)C=CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13.COS(=O)(=O)O

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(OC5OC(O)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0439607

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

AD46504

Formula: C30H46O5

Smiles:

CC(C)(O)C=CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13

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