Glycoside
GD015242
Name:
Adenophostin AFormula:
C16H26O18N5P3Smiles:
Nc1ncnc2c1ncn2C1O[C@H](CO)[C@H](O[C@@H]2OC(CO)[C@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)OAglycone:
Nc1ncnc2c1N=C[N]2.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.69 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 669.32 | Num_heavy_atoms: | 42 |
| TPSA: | 358.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
