GD139350

Name:

None

Formula:

C47H74O22S

Smiles:

C=C(CCC1(OC)OC2CC3C4CC=C5CC(O)CC(OC6OCC(OS(=O)(=O)O)C(OC(C)=O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C.O=S(=O)(O)O

Sugarmoiety:

CC(=O)OC1C(O)COC(O)C1OC1OC(C)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0461086

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

AD47925

Formula: C28H44O5

Smiles:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.86
AlogP:	4.21	Num_rotatable_bonds:	5
MolWt:	460.66	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0