Glycoside
GD032505
Name:
NoneFormula:
C21H27O6N5Smiles:
C=CCOc1ccc(C[C@H](N)C(=O)NC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)cc1Aglycone:
C=CCOc1ccc(CC(N)C(=O)NC)cc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.48 | Num_heavy_atoms: | 32 |
| TPSA: | 174.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD09267
Formula: C13H18O2N2
Smiles:
C=CCOc1ccc(CC(N)C(=O)NC)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 64.35 | NumAromaticRings: | 1 |
