Glycoside
GD039346
Name:
inosine-5'-diphosphateFormula:
C10H14O11N4P2Smiles:
O=c1[nH]cnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.19 | Num_heavy_atoms: | 27 |
| TPSA: | 226.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
