Glycoside
GD005141
Name:
ADENOSINE DIPHOSPHATE (HYDROXYMETHYL)PYRROLIDINEFormula:
C15H24O10N6P2Smiles:
Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OCC2CCCN2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1CCCN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 510.34 | Num_heavy_atoms: | 33 |
| TPSA: | 233.63 | 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 |
AD04397
Formula: C6H15O7NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1CCCN1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.13 | Num_heavy_atoms: | 16 |
| TPSA: | 114.32 | NumAromaticRings: | 0 |
