Glycoside
GD040542
Name:
5'-o-[(s)-{[(r)-{[(r)-[(2-{[(2s)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosineFormula:
C15H24O14N7P3SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H](N)C=O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NCC(N)C=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 14 |
| MolWt: | 651.38 | Num_heavy_atoms: | 40 |
| TPSA: | 331.09 | 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 |
AD24806
Formula: C6H15O11N2P3S
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NCC(N)C=O| HBA: | 13 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 416.18 | Num_heavy_atoms: | 23 |
| TPSA: | 211.78 | NumAromaticRings: | 0 |
