Glycoside
GD077584
Name:
NoneFormula:
C21H25O5N3Smiles:
Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NCc3cccnc3)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)NCc1cccnc1.CNC(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 399.45 | Num_heavy_atoms: | 29 |
| TPSA: | 120.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD21339
Formula: C9H11ON
Smiles:
CNC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD23110
Formula: C8H10ON2
Smiles:
CC(=O)NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
