Glycoside
GD135263
Name:
4-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}cyclohexane-1,2,3,5-tetrolFormula:
C22H33O14N5Smiles:
NC1C(OC2C(O)C(O)C(O)C(OCC3OC(n4cnc5c(O)ncnc54)C(O)C3O)C2O)OC(CO)C(O)C1OAglycone:
COC1C(O)C(O)C(O)C(O)C1O.Oc1ncnc2c1N=C[N]2Sugarmoiety:
NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.77 |
| AlogP: | -6.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 591.53 | Num_heavy_atoms: | 41 |
| TPSA: | 308.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD03454
Formula: C7H14O6
Smiles:
COC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.18 | Num_heavy_atoms: | 13 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
