Glycoside
GD058552
Name:
NoneFormula:
C14H20O8N2Smiles:
COC(=O)C1(C#N)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1Aglycone:
COC(=O)C1(C#N)CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 168.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD29256
Formula: C8H12O2N2
Smiles:
COC(=O)C1(C#N)CCNCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.2 | Num_heavy_atoms: | 12 |
| TPSA: | 62.12 | NumAromaticRings: | 0 |
