Glycoside
GD039662
Name:
(2s,3s,4r,5r,6r)-5-(acetylamino)-4-amino-6-{[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2h-pyran-2-carboxylic acidFormula:
C17H26O17N4P2Smiles:
CC(=O)N[C@H]1[C@H](O[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@H](O)[C@@H]1NAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C(=O)O)C(O)C(N)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -4.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 620.35 | Num_heavy_atoms: | 40 |
| TPSA: | 328.72 | 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 |
AD24497
Formula: C9H18O12N2P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C(=O)O)C(O)C(N)C1NC(C)=O| HBA: | 14 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.19 | Num_heavy_atoms: | 25 |
| TPSA: | 224.17 | NumAromaticRings: | 0 |
