Glycoside
GD029389
Name:
NoneFormula:
C16H22O5N6Smiles:
Cc1cc(C)n(CCNC(=O)[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)n1Aglycone:
Cc1cc(C)n(CCNC=O)n1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.39 | Num_heavy_atoms: | 27 |
| TPSA: | 157.52 | 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 |
AD19118
Formula: C8H13ON3
Smiles:
Cc1cc(C)n(CCNC=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 167.21 | Num_heavy_atoms: | 12 |
| TPSA: | 46.92 | NumAromaticRings: | 1 |
