GD040050

Name:

respinomycin d

Formula:

C51H75O22N2

Smiles:

CO[C@@H]1[C@@H](O[C@H]2[C@@H](C)O[C@H](O[C@@H]3[C@H]([NH+](C)C)[C@H](O)[C@H]4OC5=C6C(=O)C7=C(CC8=C(C7O)[C@H](O[C@H]7O[C@H](C)[C@@H](O)[C@](C)(O)[C@H]7OC)[C@@H](OC)[C@](C)(O)C8)C(=O)C6C=CC5[C@]3(C)O4)C[C@]2(C)[N+](=O)[O-])O[C@H](C)[C@H](O)[C@@]1(C)O

Aglycone:

COC1C(O)C2=C(CC3=C(C(=O)C4=C5OC6OC(C)(C5C=CC4C3=O)C(OC3CC(C)([N+](=O)[O-])C(O)C(C)O3)C([NH+](C)C)C6O)C2O)CC1(C)O

Sugarmoiety:

COC1C(O)OC(C)C(O)C1(C)O.COC1C(O)OC(C)C(O)C1(C)O

Other Identifiers

• RSD

AD24644

Formula: C35H47O14N2

Smiles:

COC1C(O)C2=C(CC3=C(C(=O)C4=C5OC6OC(C)(C5C=CC4C3=O)C(OC3CC(C)([N+](=O)[O-])C(O)C(C)O3)C([NH+](C)C)C6O)C2O)CC1(C)O

HBA:	16	RingCount:	7
HBD:	6	FractionCSP3:	0.71
AlogP:	-1.98	Num_rotatable_bonds:	5
MolWt:	719.76	Num_heavy_atoms:	51
TPSA:	229.02	NumAromaticRings:	0