Glycoside
GD078826
Name:
NoneFormula:
C18H24O5NCl2Smiles:
C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CC([NH3+])CCc1ccc(Cl)c(Cl)c1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 381.28 | Num_heavy_atoms: | 24 |
| TPSA: | 114.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD36184
Formula: C12H14NCl2
Smiles:
CC([NH3+])CCc1ccc(Cl)c(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.13 | Num_heavy_atoms: | 13 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
