Glycoside
GD020060
Name:
NoneFormula:
C36H40O13N4Smiles:
[N-]=[N+]=NCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3ccc(Oc4ccccc4)cc3)[C@H]2O)[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=OAglycone:
O=C1NC(=O)c2ccccc21.OCc1ccc(Oc2ccccc2)cc1.[N-]=[N+]=NCCCOSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 15 |
| MolWt: | 736.73 | Num_heavy_atoms: | 53 |
| TPSA: | 242.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD03368
Formula: C8H5O2N
Smiles:
O=C1NC(=O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 147.13 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
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 |
AD13907
Formula: C13H12O2
Smiles:
OCc1ccc(Oc2ccccc2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 200.24 | Num_heavy_atoms: | 15 |
| TPSA: | 29.46 | NumAromaticRings: | 2 |
