Glycoside
GD038992
Name:
(2r,3r,4s,5r,6s)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)Formula:
C18H28O16N4P2Smiles:
CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C)[C@@H](NC=O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(NC=O)C(O)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 618.38 | Num_heavy_atoms: | 40 |
| TPSA: | 294.5 | NumAromaticRings: | 1 |
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 |
AD24225
Formula: C10H20O11N2P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(NC=O)C(O)C1NC(C)=O| HBA: | 13 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.22 | Num_heavy_atoms: | 25 |
| TPSA: | 189.95 | NumAromaticRings: | 0 |
