Glycoside
GD001836
Name:
NoneFormula:
C17H26O8N7PSmiles:
CCOP(=O)(CNC(=O)CNC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CNC(=O)CNC=O)OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 487.41 | Num_heavy_atoms: | 33 |
| TPSA: | 213.04 | 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 |
AD01795
Formula: C8H17O5N2P
Smiles:
CCOP(=O)(CNC(=O)CNC=O)OCC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 252.21 | Num_heavy_atoms: | 16 |
| TPSA: | 93.73 | NumAromaticRings: | 0 |
