Glycoside
GD058416
Name:
NoneFormula:
C16H24O6NSmiles:
COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C2Aglycone:
COc1ccc2c(c1)CC([NH3+])C2Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 326.37 | Num_heavy_atoms: | 23 |
| TPSA: | 123.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD29206
Formula: C10H14ON
Smiles:
COc1ccc2c(c1)CC([NH3+])C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.23 | Num_heavy_atoms: | 12 |
| TPSA: | 36.87 | NumAromaticRings: | 1 |
