Glycoside
GD038520
Name:
2'-monophosphoadenosine-5'-diphosphoriboseFormula:
C15H29O17N5P3Smiles:
NC1NC[NH2+]c2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OP(=O)(O)OAglycone:
COP(=O)(O)OP(=O)(O)OC.NC1NC[NH2+]C2=C1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.8 |
| AlogP: | -4.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 644.34 | Num_heavy_atoms: | 40 |
| TPSA: | 340.91 | NumAromaticRings: | 1 |
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 |
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD24046
Formula: C5H9N5
Smiles:
NC1NC[NH2+]C2=C1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 81.12 | NumAromaticRings: | 0 |
