Glycoside
GD112939
Name:
NoneFormula:
C40H35O9N6Smiles:
C[N+](C)=CNc1c(C#N)nnn1C[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1Aglycone:
Cn1nnc(C#N)c1NC=[N+](C)C.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 743.75 | Num_heavy_atoms: | 55 |
| TPSA: | 183.97 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44797
Formula: C7H11N6
Smiles:
Cn1nnc(C#N)c1NC=[N+](C)C| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.21 | Num_heavy_atoms: | 13 |
| TPSA: | 69.54 | NumAromaticRings: | 1 |
