Glycoside
GD055189
Name:
NoneFormula:
C17H21O6NSmiles:
O=C(C(=O)N1C[C@H]2C[C@@H](C1)c1ccccc12)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1ccc2c(c1)C1CNCC2C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 118.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD28000
Formula: C11H13N
Smiles:
c1ccc2c(c1)C1CNCC2C1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 159.23 | Num_heavy_atoms: | 12 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
