Glycoside
GD052234
Name:
NoneFormula:
C17H26O5NSmiles:
Cc1cccc2c1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C2Aglycone:
Cc1cccc2c1CCC([NH3+])C2Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 324.4 | Num_heavy_atoms: | 23 |
| TPSA: | 114.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD27051
Formula: C11H16N
Smiles:
Cc1cccc2c1CCC([NH3+])C2| HBA: | 1 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.26 | Num_heavy_atoms: | 12 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
