Glycoside
GD002673
Name:
NoneFormula:
C21H21O5N6ClSmiles:
Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.88 | Num_heavy_atoms: | 32 |
| TPSA: | 164.56 | NumAromaticRings: | 4 |
Unique Aglycone
AD02523
Formula: C16H12ON6Cl
Smiles:
Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 327.76 | Num_heavy_atoms: | 23 |
| TPSA: | 103.28 | NumAromaticRings: | 3 |
