Glycoside
GD038190
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~ {s})-3-(1~{h}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acidFormula:
C22H27O8N8PSmiles:
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1OAglycone:
CNC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.48 | Num_heavy_atoms: | 39 |
| TPSA: | 242.73 | NumAromaticRings: | 4 |
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 |
AD23894
Formula: C13H18O4N3P
Smiles:
CNC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 311.28 | Num_heavy_atoms: | 21 |
| TPSA: | 103.45 | NumAromaticRings: | 2 |
