Glycoside
GD038156
Name:
n-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)Formula:
C15H18O8N5PSmiles:
O=P(O)(O)OC[C@H]1O[C@H](n2cnc3c(NCc4ccco4)ncnc32)[C@@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccco2)[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.31 | Num_heavy_atoms: | 29 |
| TPSA: | 185.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00372
Formula: C10H8ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccco2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.21 | Num_heavy_atoms: | 16 |
| TPSA: | 77.41 | NumAromaticRings: | 2 |
