Glycoside
GD038271
Name:
(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)Formula:
C24H35O19N4P3Smiles:
Cc1ncc(COP(=O)(O)O)c(C=N[C@H]2[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](C)[C@@H]2O)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 |
