Glycoside
GD039769
Name:
2-[p-(2-carboxyethyl)phenylethyl-amino]-5'-n-ethylcarboxamido adenosineFormula:
C23H29O6N7Smiles:
CCNC(=O)[C@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Nc1nc(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: | -0.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 499.53 | Num_heavy_atoms: | 36 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01419
Formula: C16H17O2N6
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 325.35 | Num_heavy_atoms: | 24 |
| TPSA: | 127.59 | NumAromaticRings: | 2 |
