Glycoside
GD076732
Name:
NoneFormula:
C18H27O8N2Smiles:
C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CC[C@@H]([NH3+])C(=O)O)[C@H](C)OAglycone:
Cc1ccccc1NC(=O)CCC([NH3+])C(=O)OSugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 399.42 | Num_heavy_atoms: | 28 |
| TPSA: | 181.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD35307
Formula: C12H17O3N2
Smiles:
Cc1ccccc1NC(=O)CCC([NH3+])C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 237.28 | Num_heavy_atoms: | 17 |
| TPSA: | 94.04 | NumAromaticRings: | 1 |
