Glycoside
GD058032
Name:
NoneFormula:
C16H27O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H](O)[C@@H]1OAglycone:
[NH3+]C1CCN(c2cc[nH+]cc2)CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 341.41 | Num_heavy_atoms: | 24 |
| TPSA: | 124.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD29100
Formula: C10H17N3
Smiles:
[NH3+]C1CCN(c2cc[nH+]cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.27 | Num_heavy_atoms: | 13 |
| TPSA: | 45.02 | NumAromaticRings: | 1 |
