Glycoside
GD051929
Name:
NoneFormula:
C17H26O5NSmiles:
OC[C@H]1O[C@H](O)[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)[C@@H](O)[C@@H]1OAglycone:
[NH3+]C1CCC(c2ccccc2)C1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.4 | Num_heavy_atoms: | 23 |
| TPSA: | 106.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD27054
Formula: C11H16N
Smiles:
[NH3+]C1CCC(c2ccccc2)C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.26 | Num_heavy_atoms: | 12 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
