Glycoside
GD040452
Name:
5'-o-[(s)-{[(s)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosineFormula:
C14H22O12N6P2Smiles:
CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCCNC(C)=O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 528.31 | Num_heavy_atoms: | 34 |
| TPSA: | 270.67 | 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 |
AD24773
Formula: C5H13O8NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCCNC(C)=O| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 277.11 | Num_heavy_atoms: | 16 |
| TPSA: | 131.39 | NumAromaticRings: | 0 |
