Glycoside
GD013135
Name:
BARIXIBATFormula:
C42H55O8N5Smiles:
O=C(CCCCCCCCCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)Nc1ccccc1[C@H](Nc1ccccn1)[C@H](c1ccccn1)[C@H](O)c1ccccc1Aglycone:
NCCCCCCCCCCC(=O)Nc1ccccc1C(Nc1ccccn1)C(c1ccccn1)C(O)c1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 24 |
| MolWt: | 757.93 | Num_heavy_atoms: | 55 |
| TPSA: | 217.39 | NumAromaticRings: | 4 |
Unique Aglycone
AD09843
Formula: C36H45O2N5
Smiles:
NCCCCCCCCCCC(=O)Nc1ccccc1C(Nc1ccccn1)C(c1ccccn1)C(O)c1ccccc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 7.56 | Num_rotatable_bonds: | 18 |
| MolWt: | 579.79 | Num_heavy_atoms: | 43 |
| TPSA: | 113.16 | NumAromaticRings: | 4 |
