Glycoside
GD037112
Name:
NoneFormula:
C12H18O14N3P3Smiles:
Nc1nc(O)c2c(n1)C([C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1O)C=C2Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc(O)c2c(n1)CC=C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 521.21 | Num_heavy_atoms: | 32 |
| TPSA: | 281.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD23402
Formula: C7H7ON3
Smiles:
Nc1nc(O)c2c(n1)CC=C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 72.03 | NumAromaticRings: | 1 |
