Glycoside
GD036569
Name:
NoneFormula:
C21H21O7N3Smiles:
N#Cc1cccc(C=NNC(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
N#Cc1cccc(C=NNC(=O)c2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.41 | Num_heavy_atoms: | 31 |
| TPSA: | 164.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD23052
Formula: C15H11O2N3
Smiles:
N#Cc1cccc(C=NNC(=O)c2ccc(O)cc2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.27 | Num_heavy_atoms: | 20 |
| TPSA: | 85.48 | NumAromaticRings: | 2 |
