Glycoside
GD089025
Name:
NoneFormula:
C22H26O8N2Smiles:
C=CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]2(CC)c1cccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1Aglycone:
C=CCN1C(=O)C2C(C1=O)C2(CC)c1cccc(N)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 446.46 | Num_heavy_atoms: | 32 |
| TPSA: | 164.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD38907
Formula: C16H18O2N2
Smiles:
C=CCN1C(=O)C2C(C1=O)C2(CC)c1cccc(N)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.33 | Num_heavy_atoms: | 20 |
| TPSA: | 63.4 | NumAromaticRings: | 1 |
