Glycoside
GD044888
Name:
NoneFormula:
C13H22O6NSmiles:
C[C@H](Cc1ccco1)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CC([NH3+])Cc1ccco1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 288.32 | Num_heavy_atoms: | 20 |
| TPSA: | 127.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD25126
Formula: C7H12ON
Smiles:
CC([NH3+])Cc1ccco1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.18 | Num_heavy_atoms: | 9 |
| TPSA: | 40.78 | NumAromaticRings: | 1 |
