Glycoside
GD078733
Name:
NoneFormula:
C20H30O7NSmiles:
CC(=O)Oc1ccc([C@H]2CC[C@@H]([NH2+][C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)cc1Aglycone:
CC(=O)Oc1ccc(C2CCC([NH3+])CC2)cc1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.46 | Num_heavy_atoms: | 28 |
| TPSA: | 133.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD36185
Formula: C14H20O2N
Smiles:
CC(=O)Oc1ccc(C2CCC([NH3+])CC2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.32 | Num_heavy_atoms: | 17 |
| TPSA: | 53.94 | NumAromaticRings: | 1 |
