Glycoside
GD032782
Name:
2-[(5-{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dihydroxy-4-(phosphonooxy)hexanedioic acidFormula:
C22H32O19N5PSmiles:
Nc1ncnc2c1ncn2C1OC(COC2C(CO)OC(OC(C(=O)O)C(O)C(OP(=O)(O)O)C(O)C(=O)O)C(O)C2O)C(O)C1OAglycone:
Nc1ncnc2c1N=C[N]2Sugarmoiety:
O=C(O)C(O)C(OP(=O)(O)O)C(O)C(OC1OC(CO)C(OCC2OC(O)C(O)C2O)C(O)C1O)C(=O)OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.68 |
| AlogP: | -6.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 701.49 | Num_heavy_atoms: | 47 |
| TPSA: | 389.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
