Glycoside
GD080955
Name:
NoneFormula:
C18H17O7N5Smiles:
O=C(c1ccccc1)c1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1Aglycone:
O=C(C1=C[N]N=N1)c1ccccc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.36 | Num_heavy_atoms: | 30 |
| TPSA: | 172.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD28749
Formula: C9H6ON3
Smiles:
O=C(C1=C[N]N=N1)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.89 | NumAromaticRings: | 1 |
