Glycoside
GD071053
Name:
NoneFormula:
C16H20O6N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCC(C(=O)O)CC2)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN1CCC(C(=O)O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.37 | Num_heavy_atoms: | 28 |
| TPSA: | 176.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD33546
Formula: C7H11O3N
Smiles:
O=CN1CCC(C(=O)O)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.17 | Num_heavy_atoms: | 11 |
| TPSA: | 57.61 | NumAromaticRings: | 0 |
