Glycoside
GD040163
Name:
[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphateFormula:
C24H35O19N4P3Smiles:
Cc1ncc(COP(=O)(O)O)c(C=N[C@H]2[C@H](O)[C@H](O)[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)O[C@@H]2C)c1OAglycone:
Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Cc1ncc(COP(=O)(O)O)c(C=N)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 13 |
| MolWt: | 776.48 | Num_heavy_atoms: | 50 |
| TPSA: | 348.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD16349
Formula: C10H16O11N2P2
Smiles:
Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.19 | Num_heavy_atoms: | 25 |
| TPSA: | 197.61 | NumAromaticRings: | 1 |
AD23938
Formula: C8H11O5N2P
Smiles:
Cc1ncc(COP(=O)(O)O)c(C=N)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.16 | Num_heavy_atoms: | 16 |
| TPSA: | 123.73 | NumAromaticRings: | 1 |
