Glycoside
GD037829
Name:
n-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)Formula:
C16H26O12N6P2Smiles:
CCC(=O)NCCCNc1nc2c(ncn2[C@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
CCC(=O)NCCCNc1nc2c(c(=O)[nH]1)N=C[N]2.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 12 |
| MolWt: | 556.36 | Num_heavy_atoms: | 36 |
| TPSA: | 267.68 | 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 |
AD23747
Formula: C11H15O2N6
Smiles:
CCC(=O)NCCCNc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 263.28 | Num_heavy_atoms: | 19 |
| TPSA: | 113.34 | NumAromaticRings: | 1 |
