Glycoside
GD078380
Name:
NoneFormula:
C17H16O5N5ClSmiles:
O=c1[nH]c2c(Nc3ccc(Cl)cc3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=c1[nH]c2ncnc(Nc3ccc(Cl)cc3)c2[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.79 | Num_heavy_atoms: | 27 |
| TPSA: | 145.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD35982
Formula: C12H8ON5Cl
Smiles:
O=c1[nH]c2ncnc(Nc3ccc(Cl)cc3)c2[nH]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.67 | Num_heavy_atoms: | 18 |
| TPSA: | 86.46 | NumAromaticRings: | 3 |
