GD016174

Name:

ASTRAGALOSIDE I

Formula:

C46H74O16

Smiles:

COC(C)(C)[C@@H]1CC[C@](C)([C@@H]2[C@H](O)C[C@]3(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](OC(C)=O)[C@H]6OC(C)=O)CC[C@]56C[C@@]46CC[C@]23C)O1

Aglycone:

COC(C)(C)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

Sugarmoiety:

CC(=O)OC1C(O)COC(O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL498853

AD11682

Formula: C31H52O5

Smiles:

COC(C)(C)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	5.09	Num_rotatable_bonds:	3
MolWt:	504.75	Num_heavy_atoms:	36
TPSA:	79.15	NumAromaticRings:	0