Glycoside
GD082668
Name:
NoneFormula:
C18H27O8N3Smiles:
COc1cc(N2CCC(N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2)ccc1[N+](=O)[O-]Aglycone:
COc1cc(N2CCC(N)CC2)ccc1[N+](=O)[O-]Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 413.43 | Num_heavy_atoms: | 29 |
| TPSA: | 165.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD37095
Formula: C12H17O3N3
Smiles:
COc1cc(N2CCC(N)CC2)ccc1[N+](=O)[O-]| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 251.29 | Num_heavy_atoms: | 18 |
| TPSA: | 81.63 | NumAromaticRings: | 1 |
