Glycoside
GD012382
Name:
NoneFormula:
C36H41O11N7Smiles:
[N-]=[N+]=NCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)nn3)[C@H]2O)[C@H](O)[C@H]1NC(=O)c1ccccc1Aglycone:
C1=C(c2ccc(Oc3ccccc3)cc2)N=N[N]1.NC(=O)c1ccccc1.[N-]=[N+]=NCCCOSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 747.76 | Num_heavy_atoms: | 54 |
| TPSA: | 255.87 | NumAromaticRings: | 4 |
Unique Aglycone
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
AD09347
Formula: C14H10ON3
Smiles:
C1=C(c2ccc(Oc3ccccc3)cc2)N=N[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.25 | Num_heavy_atoms: | 18 |
| TPSA: | 48.05 | NumAromaticRings: | 2 |
AD09348
Formula: C3H7ON3
Smiles:
[N-]=[N+]=NCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 101.11 | Num_heavy_atoms: | 7 |
| TPSA: | 68.99 | NumAromaticRings: | 0 |
