Glycoside
GD126688
Name:
{[6-({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}methoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}({[3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acidFormula:
C26H38O17N5PSmiles:
Cc1cn(C2CC(O)C(COP(=O)(O)OCC3OC(OCOCC4OC(n5ccc(=N)nc5O)CC4O)C(O)C(O)C3O)O2)c(=O)nc1OAglycone:
COP(=O)(O)OCC1OC(n2cc(C)c(O)nc2=O)CC1O.N=c1ccn(C2CC(O)C(COCO)O2)c(O)n1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 13 |
| MolWt: | 723.58 | Num_heavy_atoms: | 49 |
| TPSA: | 320.08 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD51276
Formula: C11H17O8N2P
Smiles:
COP(=O)(O)OCC1OC(n2cc(C)c(O)nc2=O)CC1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.24 | Num_heavy_atoms: | 22 |
| TPSA: | 140.34 | NumAromaticRings: | 1 |
