Glycoside
GD067264
Name:
NoneFormula:
C17H28O5N3Smiles:
O=C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
[NH3+]C1CCN(Cc2ccncc2)CC1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 354.43 | Num_heavy_atoms: | 25 |
| TPSA: | 130.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD32108
Formula: C11H18N3
Smiles:
[NH3+]C1CCN(Cc2ccncc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.29 | Num_heavy_atoms: | 14 |
| TPSA: | 43.77 | NumAromaticRings: | 1 |
