Glycoside
GD103404
Name:
NoneFormula:
C20H29O7NBrSmiles:
COC(=O)[C@]1(c2ccc(Br)cc2)CC[C@H]([NH2+][C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
COC(=O)C1(c2ccc(Br)cc2)CCC([NH3+])CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.36 | Num_heavy_atoms: | 29 |
| TPSA: | 133.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD43770
Formula: C14H19O2NBr
Smiles:
COC(=O)C1(c2ccc(Br)cc2)CCC([NH3+])CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 313.22 | Num_heavy_atoms: | 18 |
| TPSA: | 53.94 | NumAromaticRings: | 1 |
