Glycoside
GD138750
Name:
({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}methoxy)[(2-{[3-({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}methoxy)-4,5,6-trihydroxyoxan-2-yl]methoxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]phosphinic acidFormula:
C32H49O22N6PSmiles:
N=c1ccn(C2CC(O)C(COCOC3C(COC4OC(CO)C(O)C(OP(=O)(O)OCOCC5OC(n6ccc(=N)nc6O)CC5O)C4O)OC(O)C(O)C3O)O2)c(O)n1Aglycone:
N=c1ccn(C2CC(O)C(COCO)O2)c(O)n1.N=c1ccn(C2CC(O)C(COCOP(=O)(O)O)O2)c(O)n1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.75 |
| AlogP: | -5.82 | Num_rotatable_bonds: | 18 |
| MolWt: | 900.74 | Num_heavy_atoms: | 61 |
| TPSA: | 415.24 | 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 |
AD55977
Formula: C10H16O8N3P
Smiles:
N=c1ccn(C2CC(O)C(COCOP(=O)(O)O)O2)c(O)n1| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 337.22 | Num_heavy_atoms: | 22 |
| TPSA: | 167.35 | NumAromaticRings: | 1 |
