Glycoside

GD095604
Name:
NoneFormula:
C20H28O12N2Smiles:
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1OAglycone:
O=[N+]([O-])c1ccc(O)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.65 |
AlogP: | -2.23 | Num_rotatable_bonds: | 7 |
MolWt: | 488.45 | Num_heavy_atoms: | 34 |
TPSA: | 210.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD00091
Formula: C6H5O3N
Smiles:
O=[N+]([O-])c1ccc(O)cc1HBA: | 4 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
MolWt: | 139.11 | Num_heavy_atoms: | 10 |
TPSA: | 63.37 | NumAromaticRings: | 1 |