Glycoside
GD083098
Name:
NoneFormula:
C18H27O9N2Smiles:
C[C@H](O)C(O)(C(=O)OCc1cc(O)ccc1NC(=O)CC[C@@H]([NH3+])C(=O)O)[C@H](C)OAglycone:
Cc1cc(O)ccc1NC(=O)CCC([NH3+])C(=O)OSugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 415.42 | Num_heavy_atoms: | 29 |
| TPSA: | 201.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD37147
Formula: C12H17O4N2
Smiles:
Cc1cc(O)ccc1NC(=O)CCC([NH3+])C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 253.28 | Num_heavy_atoms: | 18 |
| TPSA: | 114.27 | NumAromaticRings: | 1 |
