Glycoside
GD150019
Name:
2-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acidFormula:
C14H17O8N5Smiles:
O=C(O)CC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)OAglycone:
O=C(O)CC(Nc1ncnc2c1N=C[N]2)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 383.32 | Num_heavy_atoms: | 27 |
| TPSA: | 200.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD13604
Formula: C9H8O4N5
Smiles:
O=C(O)CC(Nc1ncnc2c1N=C[N]2)C(=O)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 250.19 | Num_heavy_atoms: | 18 |
| TPSA: | 138.87 | NumAromaticRings: | 1 |
