GD033409

Name:

None

Formula:

C59H88O21N2S

Smiles:

CC(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)OC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[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(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2

Aglycone:

CC(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)OC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2

Sugarmoiety:

CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3943342

AD21320

Formula: C42H60O8N2S

Smiles:

CC(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)OC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2

HBA:	10	RingCount:	7
HBD:	1	FractionCSP3:	0.74
AlogP:	8.0	Num_rotatable_bonds:	8
MolWt:	753.01	Num_heavy_atoms:	53
TPSA:	142.87	NumAromaticRings:	2