Glycoside
GD092208
Name:
NoneFormula:
C20H25O8N3Smiles:
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\N[C@H]3[C@H](O)[C@H](O)[C@@H](CO)O[C@H]3O)C2=O)cc1Aglycone:
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN)C2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.43 | Num_heavy_atoms: | 31 |
| TPSA: | 168.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD38873
Formula: C14H15O3N3
Smiles:
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN)C2=O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.29 | Num_heavy_atoms: | 20 |
| TPSA: | 92.5 | NumAromaticRings: | 1 |
