Glycoside
GD076467
Name:
NoneFormula:
C17H19O8N3Smiles:
N#Cc1cccc(N2C[C@H](C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)OC2=O)c1Aglycone:
N#Cc1cccc(N2CC(C(N)=O)OC2=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.35 | Num_heavy_atoms: | 28 |
| TPSA: | 172.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD35258
Formula: C11H9O3N3
Smiles:
N#Cc1cccc(N2CC(C(N)=O)OC2=O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 231.21 | Num_heavy_atoms: | 17 |
| TPSA: | 96.42 | NumAromaticRings: | 1 |
