GD017501

Name:

ARCHASTEROSIDE A

Formula:

C59H97O29S

Smiles:

CC[C@H](C(C)C)[C@@H]1O[C@H]1[C@@](C)(O)[C@@H]1[C@H](O)C[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](C)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]4(C)C3=CC[C@@]12C

Aglycone:

CCC(C(C)C)C1OC1C(C)(O)C1C(O)CC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C

Sugarmoiety:

CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(CO)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1082626

AD12480

Formula: C29H47O8S

Smiles:

CCC(C(C)C)C1OC1C(C)(O)C1C(O)CC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	3.55	Num_rotatable_bonds:	7
MolWt:	555.75	Num_heavy_atoms:	38
TPSA:	139.65	NumAromaticRings:	0