Glycoside
GD002586
Name:
NoneFormula:
C20H22O11N2Cl2Smiles:
O=C(O)[C@@H]1O[C@H](Oc2ccc(COC(=O)N(CCCl)CCCl)cc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(OCc1ccc(O)c([N+](=O)[O-])c1)N(CCCl)CCClSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 513.28 | Num_heavy_atoms: | 33 |
| TPSA: | 189.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD02452
Formula: C14H14O5N2Cl2
Smiles:
O=C(OCc1ccc(O)c([N+](=O)[O-])c1)N(CCCl)CCCl| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 337.16 | Num_heavy_atoms: | 21 |
| TPSA: | 92.91 | NumAromaticRings: | 1 |
