Glycoside
GD010147
Name:
NoneFormula:
C18H20O6N4Smiles:
Nc1ccn([C@@H]2O[C@H](C(=O)N[C@@H]3c4ccccc4C[C@H]3O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=CNC1c2ccccc2CC1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.38 | Num_heavy_atoms: | 28 |
| TPSA: | 159.93 | 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 |
AD07878
Formula: C10H11O2N
Smiles:
O=CNC1c2ccccc2CC1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
