Glycoside
GD038994
Name:
(2r,3r,4s,5r,6s)-3-(acetylamino)-5-amino-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 diphosphateFormula:
C17H28O15N4P2Smiles:
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](N)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(N)C(O)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.37 | Num_heavy_atoms: | 38 |
| TPSA: | 291.42 | 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 |
AD24226
Formula: C9H20O10N2P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(N)C(O)C1NC(C)=O| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.21 | Num_heavy_atoms: | 23 |
| TPSA: | 186.87 | NumAromaticRings: | 0 |
