Glycoside
GD039166
Name:
guanosine 5'-(trihydrogen diphosphate), p'-d-mannopyranosyl esterFormula:
C16H23O17N5P2Smiles:
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)O[C@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -4.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 619.33 | Num_heavy_atoms: | 40 |
| TPSA: | 348.79 | 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 |
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 |
