Glycoside
GD044500
Name:
NoneFormula:
C13H17O5N3Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(C3=CC=CC3)nn2)[C@@H]1OAglycone:
Cn1cc(C2=CC=CC2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.29 | Num_heavy_atoms: | 21 |
| TPSA: | 120.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD25042
Formula: C8H9N3
Smiles:
Cn1cc(C2=CC=CC2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.18 | Num_heavy_atoms: | 11 |
| TPSA: | 30.71 | NumAromaticRings: | 1 |
