Glycoside
GD026341
Name:
ADENOSINE AMINE CONGENERFormula:
C29H34O5N8Smiles:
CC[C@@H]1O[C@H](n2cnc3c(Nc4ccc(CC(=O)Nc5ccc(CC(=O)NCCN)cc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1Sugarmoiety:
CCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.34 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 574.64 | Num_heavy_atoms: | 42 |
| TPSA: | 189.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD05898
Formula: C23H23O2N8
Smiles:
NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 443.49 | Num_heavy_atoms: | 33 |
| TPSA: | 148.49 | NumAromaticRings: | 3 |
