Glycoside
GD012999
Name:
NoneFormula:
C21H23O12NSmiles:
O=C(CCc1ccc(O)c([N+](=O)[O-])c1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CCc1ccc(O)c([N+](=O)[O-])c1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.41 | Num_heavy_atoms: | 34 |
| TPSA: | 220.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD09756
Formula: C15H13O7N
Smiles:
O=C(CCc1ccc(O)c([N+](=O)[O-])c1)c1c(O)cc(O)cc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 319.27 | Num_heavy_atoms: | 23 |
| TPSA: | 141.13 | NumAromaticRings: | 2 |
