Glycoside
GD001920
Name:
NoneFormula:
C22H30O8N11PSmiles:
COC(=O)C(C)NP(=O)(CCOCn1cnc2c(N)ncnc21)O[C@H]1[C@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1OAglycone:
COC(=O)C(C)NP(=O)(O)CCOCn1cnc2c(N)ncnc21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 607.53 | Num_heavy_atoms: | 42 |
| TPSA: | 262.79 | NumAromaticRings: | 4 |
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 |
AD01867
Formula: C12H19O5N6P
Smiles:
COC(=O)C(C)NP(=O)(O)CCOCn1cnc2c(N)ncnc21| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 358.3 | Num_heavy_atoms: | 24 |
| TPSA: | 154.48 | NumAromaticRings: | 2 |
