Glycoside
GD023694
Name:
NoneFormula:
C18H22O5N4Smiles:
Cn1cncc1C(=O)NC[C@@H]1OC[C@](O)(CNC(=O)c2ccccc2)[C@H]1OAglycone:
CNC(=O)c1ccccc1.CNC(=O)c1cncn1CSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.4 | Num_heavy_atoms: | 27 |
| TPSA: | 125.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD15914
Formula: C6H9ON3
Smiles:
CNC(=O)c1cncn1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 46.92 | NumAromaticRings: | 1 |
