Glycoside
GD035091
Name:
NoneFormula:
C20H20O5N3ClSmiles:
O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccncc2Cl)[C@H]1O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.CNC(=O)c1ccncc1ClSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.84 | Num_heavy_atoms: | 28 |
| TPSA: | 120.78 | 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 |
AD22221
Formula: C8H7ON2Cl
Smiles:
CNC(=O)c1ccncc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.6 | Num_heavy_atoms: | 11 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
