Glycoside
GD139624
Name:
3-{4-[2-({6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-9H-purin-2-yl}amino)ethyl]phenyl}propanoic acidFormula:
C23H29O6N7Smiles:
CCN=C(O)C1OC(n2cnc3c(N)[nH]c(=NCCc4ccc(CCC(=O)O)cc4)nc32)C(O)C1OAglycone:
CCN=CO.Nc1[nH]c(=NCCc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 499.53 | Num_heavy_atoms: | 36 |
| TPSA: | 204.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD49188
Formula: C3H7ON
Smiles:
CCN=CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD56302
Formula: C16H17O2N6
Smiles:
Nc1[nH]c(=NCCc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 325.35 | Num_heavy_atoms: | 24 |
| TPSA: | 130.82 | NumAromaticRings: | 2 |
