Glycoside
GD130848
Name:
[(6-{[3-({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}methoxy)-4,5,6-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]({[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acidFormula:
C32H48O23N5PSmiles:
Cc1cn(C2OC(COP(=O)(O)OCC3OC(OCC4OC(O)C(O)C(O)C4OCOCC4OC(n5ccc(=N)nc5O)CC4O)C(O)C(O)C3O)C(O)C2O)c(=O)nc1OAglycone:
COP(=O)(O)OC.Cc1c[nH]c(=O)nc1O.N=c1ccn(C2CC(O)C(COCO)O2)c(O)n1Sugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.75 |
| AlogP: | -6.64 | Num_rotatable_bonds: | 16 |
| MolWt: | 901.72 | Num_heavy_atoms: | 61 |
| TPSA: | 419.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD02080
Formula: C2H7O4P
Smiles:
COP(=O)(O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD08955
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD45713
Formula: C10H15O5N3
Smiles:
N=c1ccn(C2CC(O)C(COCO)O2)c(O)n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.25 | Num_heavy_atoms: | 18 |
| TPSA: | 120.82 | NumAromaticRings: | 1 |
