Glycoside
GD037133
Name:
NoneFormula:
C21H23O4N2ClSmiles:
O=C(NC[C@@H]1OC[C@](O)(CNCc2ccccc2)[C@H]1O)c1ccccc1ClAglycone:
CNC(=O)c1ccccc1Cl.CNCc1ccccc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.87 | Num_heavy_atoms: | 27 |
| TPSA: | 90.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD01442
Formula: C9H8ONCl
Smiles:
CNC(=O)c1ccccc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.61 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD10586
Formula: C8H11N
Smiles:
CNCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 121.18 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
