Glycoside
GD071272
Name:
NoneFormula:
C17H18O7N4Smiles:
O=c1[nH]c(=O)c2nc(OCc3ccccc3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1Aglycone:
O=c1[nH]c2c(c(=O)[nH]1)N=C(OCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.35 | Num_heavy_atoms: | 28 |
| TPSA: | 162.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD12017
Formula: C12H9O3N4
Smiles:
O=c1[nH]c2c(c(=O)[nH]1)N=C(OCc1ccccc1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.23 | Num_heavy_atoms: | 19 |
| TPSA: | 101.41 | NumAromaticRings: | 2 |
