Glycoside
GD066926
Name:
NoneFormula:
C16H22O6N3Smiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2C[C@H](C1)N2c1cc[nH+]cc1Aglycone:
O=CN1CC2CC(C1)N2c1cc[nH+]cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.37 | Num_heavy_atoms: | 25 |
| TPSA: | 127.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD31992
Formula: C11H14ON3
Smiles:
O=CN1CC2CC(C1)N2c1cc[nH+]cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.25 | Num_heavy_atoms: | 15 |
| TPSA: | 37.69 | NumAromaticRings: | 1 |
