Glycoside
GD036146
Name:
NoneFormula:
C20H23O4N3SSmiles:
O=C(NC[C@]1(O)CO[C@H](CNC(=S)Nc2ccccc2)[C@H]1O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.CNC(=S)Nc1ccccc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.49 | Num_heavy_atoms: | 28 |
| TPSA: | 102.85 | 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 |
AD22825
Formula: C8H10N2S
Smiles:
CNC(=S)Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.25 | Num_heavy_atoms: | 11 |
| TPSA: | 24.06 | NumAromaticRings: | 1 |
