Glycoside
GD039982
Name:
2-amino-7-deaza-(2'',3''-dihydroxy-cyclopentylamino)-guanosine-5'-monophosphateFormula:
C17H26O10N5PSmiles:
Nc1nc2c(c(CN[C@@H]3CC[C@@H](O)[C@H]3O)cn2[C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)C(CNC1CCC(O)C1O)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.39 | Num_heavy_atoms: | 33 |
| TPSA: | 245.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24624
Formula: C12H16O3N5
Smiles:
Nc1nc2c(c(=O)[nH]1)C(CNC1CCC(O)C1O)=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.29 | Num_heavy_atoms: | 20 |
| TPSA: | 138.36 | NumAromaticRings: | 1 |
