Glycoside
GD039179
Name:
guanosine 5'-diphosphate-4-keto-beta-l-guloseFormula:
C16H23O16N5P2Smiles:
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)O[C@H]3O[C@H](CO)C(=O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OC1OC(CO)C(=O)C(O)C1O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -4.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.33 | Num_heavy_atoms: | 39 |
| TPSA: | 328.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD24301
Formula: C7H14O12P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(CO)C(=O)C(O)C1O| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 352.12 | Num_heavy_atoms: | 21 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
