Glycoside
GD095683
Name:
NoneFormula:
C15H18O11N4P2Smiles:
C#CC(C#C)Oc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OAglycone:
C#CC(C#C)Oc1ncnc2c1N=C[N]2.CO[PH](O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.27 | Num_heavy_atoms: | 32 |
| TPSA: | 218.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD36266
Formula: CH8O7P2
Smiles:
CO[PH](O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
AD40799
Formula: C10H5ON4
Smiles:
C#CC(C#C)Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 197.18 | Num_heavy_atoms: | 15 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
