Glycoside
GD037821
Name:
(2r,3r,4s,5s)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2h-pyr an-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphateFormula:
C22H33O20N4P3Smiles:
Cc1ncc(COP(=O)(O)O)c(CN[C@@H]2CO[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1OAglycone:
COP(=O)(O)OP(=O)(O)O.Cc1ncc(COP(=O)(O)O)c(CN)c1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1COOC(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 14 |
| MolWt: | 766.44 | Num_heavy_atoms: | 49 |
| TPSA: | 368.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
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 |
AD23744
Formula: C8H13O5N2P
Smiles:
Cc1ncc(COP(=O)(O)O)c(CN)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.17 | Num_heavy_atoms: | 16 |
| TPSA: | 125.9 | NumAromaticRings: | 1 |
