Glycoside
GD040155
Name:
[(2s,3s,5r)-3-[(2s)-3-({[(2r,3s,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphateFormula:
C25H36O13N5PSmiles:
CO[C@H]1[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H](CNC(=O)[C@@H](C)C[C@@H]2C[C@@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)O)[C@H]1OAglycone:
CNC(=O)C(C)CC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 645.56 | Num_heavy_atoms: | 44 |
| TPSA: | 253.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24683
Formula: C15H24O8N3P
Smiles:
CNC(=O)C(C)CC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.34 | Num_heavy_atoms: | 27 |
| TPSA: | 159.95 | NumAromaticRings: | 1 |
