Glycoside
GD001976
Name:
NoneFormula:
C14H19O6N7Smiles:
CNC(=O)NCCNC(=O)[C@@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)NCCNC=O.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.35 | Num_heavy_atoms: | 27 |
| TPSA: | 183.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD01923
Formula: C5H11O2N3
Smiles:
CNC(=O)NCCNC=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 145.16 | Num_heavy_atoms: | 10 |
| TPSA: | 70.23 | NumAromaticRings: | 0 |
