Glycoside
GD023059
Name:
NoneFormula:
C26H33O9N3Smiles:
CCC(=O)OC[C@@H]1O[C@H](n2cc(-c3ccccc3)nn2)[C@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CCAglycone:
C1=C(c2ccccc2)N=N[N]1.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 531.56 | Num_heavy_atoms: | 38 |
| TPSA: | 145.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD04561
Formula: C8H6N3
Smiles:
C1=C(c2ccccc2)N=N[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
