Glycoside
GD034083
Name:
NoneFormula:
C22H30O9N8Smiles:
NC[C@@H]1O[C@H](O[C@H](c2cn(CCCn3ccnc3)nn2)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=c1cc[nH]c(=O)[nH]1.OCc1cn(CCCn2ccnc2)nn1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.53 | Num_heavy_atoms: | 39 |
| TPSA: | 238.02 | 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 |
AD21704
Formula: C9H13ON5
Smiles:
OCc1cn(CCCn2ccnc2)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 207.24 | Num_heavy_atoms: | 15 |
| TPSA: | 68.76 | NumAromaticRings: | 2 |
