Glycoside
GD016842
Name:
NoneFormula:
C16H24O8N7PSmiles:
NC(=O)CC[C@H](N)C(=O)CP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CC(=O)C(N)CCC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 473.38 | Num_heavy_atoms: | 32 |
| TPSA: | 252.02 | 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 |
AD12074
Formula: C7H15O5N2P
Smiles:
COP(=O)(O)CC(=O)C(N)CCC(N)=O| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 238.18 | Num_heavy_atoms: | 15 |
| TPSA: | 132.71 | NumAromaticRings: | 0 |
