Glycoside
GD031782
Name:
TREHAZOLINFormula:
C13H22O10N2Smiles:
OC[C@@H]1O[C@H](NC2=N[C@@H]3[C@H](O2)[C@H](O)[C@H](O)[C@@]3(O)CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC1=NC2C(O1)C(O)C(O)C2(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -6.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.32 | Num_heavy_atoms: | 25 |
| TPSA: | 204.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD20454
Formula: C7H12O5N2
Smiles:
NC1=NC2C(O1)C(O)C(O)C2(O)CO| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -3.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.18 | Num_heavy_atoms: | 14 |
| TPSA: | 128.53 | NumAromaticRings: | 0 |
