Glycoside
GD071234
Name:
NoneFormula:
C15H20O6N6Smiles:
O=CN1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
O=CN1CCN(C2=Nc3c(nc[nH]c3=O)[N]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.36 | Num_heavy_atoms: | 27 |
| TPSA: | 157.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD33561
Formula: C10H11O2N6
Smiles:
O=CN1CCN(C2=Nc3c(nc[nH]c3=O)[N]2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 247.24 | Num_heavy_atoms: | 18 |
| TPSA: | 95.76 | NumAromaticRings: | 1 |
