Glycoside
GD006798
Name:
ADENOSINE DIPHOSPHATE (HYDROXYMETHYL)PYRROLIDINE MONOALCOHOLFormula:
C15H24O11N6P2Smiles:
Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OCC2C[C@H](O)CN2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1CC(O)CN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.34 | Num_heavy_atoms: | 34 |
| TPSA: | 253.86 | 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 |
AD05585
Formula: C6H15O8NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1CC(O)CN1| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 291.13 | Num_heavy_atoms: | 17 |
| TPSA: | 134.55 | NumAromaticRings: | 0 |
