GD005787

Name:

None

Formula:

C45H70O16N2

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](CCOc2ccc([N+](=O)[O-])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(CCOc2ccc([N+](=O)[O-])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

• CHEMBL405153

AD04863

Formula: C29H41O9N

Smiles:

CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccc([N+](=O)[O-])cc2)CC(C)C(=O)C=CC(C)=CC1CO

HBA:	10	RingCount:	2
HBD:	3	FractionCSP3:	0.59
AlogP:	3.77	Num_rotatable_bonds:	7
MolWt:	547.65	Num_heavy_atoms:	39
TPSA:	156.43	NumAromaticRings:	1