Glycoside
GD014798
Name:
NoneFormula:
C20H27O4N5Smiles:
CN(C)c1ccc(C=CCNC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)cc1Aglycone:
CNCC=Cc1ccc(N(C)C)cc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.47 | Num_heavy_atoms: | 29 |
| TPSA: | 125.87 | 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 |
AD10843
Formula: C12H18N2
Smiles:
CNCC=Cc1ccc(N(C)C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 190.29 | Num_heavy_atoms: | 14 |
| TPSA: | 15.27 | NumAromaticRings: | 1 |
