Glycoside
GD099798
Name:
NoneFormula:
C24H31O6N3Smiles:
COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNC(=O)c3ccc(N(C)C)cc3)[C@@H](O)[C@H]2O)cc1Aglycone:
CNC(=O)c1ccc(N(C)C)cc1.COc1ccc(CNC(C)=O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 457.53 | Num_heavy_atoms: | 33 |
| TPSA: | 120.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD21381
Formula: C10H13O2N
Smiles:
COc1ccc(CNC(C)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD35315
Formula: C10H14ON2
Smiles:
CNC(=O)c1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
