Glycoside
GD026507
Name:
NoneFormula:
C17H15O7N7Smiles:
O=c1ccn([C@@H]2O[C@H](Cn3cc(C#Cc4c[nH]c(=O)[nH]c4=O)nn3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Cn1cc(C#Cc2c[nH]c(=O)[nH]c2=O)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 429.35 | Num_heavy_atoms: | 31 |
| TPSA: | 200.98 | 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 |
AD17465
Formula: C9H7O2N5
Smiles:
Cn1cc(C#Cc2c[nH]c(=O)[nH]c2=O)nn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 217.19 | Num_heavy_atoms: | 16 |
| TPSA: | 96.43 | NumAromaticRings: | 2 |
