Glycoside
GD029830
Name:
NoneFormula:
C16H25O8N6PSmiles:
CCCOC(=O)NCC(C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)P(=O)(O)OAglycone:
CCCOC(=O)NCC(C)P(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.38 | Num_heavy_atoms: | 31 |
| TPSA: | 215.17 | 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 |
AD19358
Formula: C7H16O5NP
Smiles:
CCCOC(=O)NCC(C)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 225.18 | Num_heavy_atoms: | 14 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
