Glycoside
GD060315
Name:
NoneFormula:
C16H19O6N3Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cnc(Oc3ccccc3)nc2)[C@@H](O)[C@@H]1OAglycone:
Nc1cnc(Oc2ccccc2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 349.34 | Num_heavy_atoms: | 25 |
| TPSA: | 137.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD29796
Formula: C10H9ON3
Smiles:
Nc1cnc(Oc2ccccc2)nc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 187.2 | Num_heavy_atoms: | 14 |
| TPSA: | 61.03 | NumAromaticRings: | 2 |
