Glycoside
GD032137
Name:
NoneFormula:
C16H21O16N5P4Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc2ccccc2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 663.26 | Num_heavy_atoms: | 41 |
| TPSA: | 314.66 | NumAromaticRings: | 3 |
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 |
AD11514
Formula: C7H12O13P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc1ccccc1| HBA: | 13 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 428.06 | Num_heavy_atoms: | 24 |
| TPSA: | 195.35 | NumAromaticRings: | 1 |
