Glycoside
GD036609
Name:
NoneFormula:
C21H27O5N2ClSmiles:
O=C(NC[C@@H]1OC[C@](O)(CNC(=O)C2CCCCC2)[C@H]1O)c1ccccc1ClAglycone:
CNC(=O)C1CCCCC1.CNC(=O)c1ccccc1ClSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.9 | Num_heavy_atoms: | 28 |
| TPSA: | 107.89 | NumAromaticRings: | 1 |
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 |
AD23079
Formula: C8H15ON
Smiles:
CNC(=O)C1CCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
