GD156239

Name:

None

Formula:

C56H88O27S

Smiles:

C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OC(CO)C(OC7OC(COS(=O)O)C(O)C(O)C7OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2

Aglycone:

C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2.COS(=O)O

Sugarmoiety:

OCC1OC(OC2C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0476745

AD02708

Formula: CH4O3S

Smiles:

COS(=O)O

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.23	Num_rotatable_bonds:	1
MolWt:	96.11	Num_heavy_atoms:	5
TPSA:	46.53	NumAromaticRings:	0

AD51100

Formula: C32H48O5

Smiles:

C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.81
AlogP:	6.54	Num_rotatable_bonds:	6
MolWt:	512.73	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0