GD005265

Name:

ARCHASTEROSIDE B

Formula:

C57H95O27S

Smiles:

CC(C)CCC[C@@](C)(O)[C@@H]1[C@H](O)C[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[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:

CC(C)CCCC(C)(O)C1C(O)CC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C

Sugarmoiety:

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

Other Identifiers

• CHEMBL1082628

AD04496

Formula: C27H45O7S

Smiles:

CC(C)CCCC(C)(O)C1C(O)CC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C

HBA:	7	RingCount:	4
HBD:	3	FractionCSP3:	0.93
AlogP:	3.93	Num_rotatable_bonds:	7
MolWt:	513.72	Num_heavy_atoms:	35
TPSA:	127.12	NumAromaticRings:	0