Glycoside
GD091443
Name:
NoneFormula:
C20H21O6N5Smiles:
O=C(Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc2c(c1)CCC2Aglycone:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)c1ccc2c(c1)CCC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 427.42 | Num_heavy_atoms: | 31 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD39899
Formula: C15H13O2N5
Smiles:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)c1ccc2c(c1)CCC2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 295.3 | Num_heavy_atoms: | 22 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
