Glycoside
GD066284
Name:
NoneFormula:
C16H22O7N2Smiles:
COc1cccnc1[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1CC1Aglycone:
COc1cccnc1C(N)C1CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD31782
Formula: C10H14ON2
Smiles:
COc1cccnc1C(N)C1CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
