GD022782

Name:

None

Formula:

C46H73O15NS

Smiles:

CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCS(=O)(=O)c2ccc(C)cc2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC

Aglycone:

CCC1OC(=O)CC(O)C(C)C(O)C(CCS(=O)(=O)c2ccc(C)cc2)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

• CHEMBL297562

AD15405

Formula: C30H44O8S

Smiles:

CCC1OC(=O)CC(O)C(C)C(O)C(CCS(=O)(=O)c2ccc(C)cc2)CC(C)C(=O)C=CC(C)=CC1CO

HBA:	8	RingCount:	2
HBD:	3	FractionCSP3:	0.6
AlogP:	3.56	Num_rotatable_bonds:	6
MolWt:	564.74	Num_heavy_atoms:	39
TPSA:	138.2	NumAromaticRings:	1