Glycoside
GD046864
Name:
NoneFormula:
C12H15O5N5Smiles:
Nc1c(-c2nccc(=O)[nH]2)ncn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
NC1=C(c2nccc(=O)[nH]2)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.28 | Num_heavy_atoms: | 22 |
| TPSA: | 159.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD25419
Formula: C7H6ON5
Smiles:
NC1=C(c2nccc(=O)[nH]2)N=C[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.16 | Num_heavy_atoms: | 13 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
