Glycoside
GD047249
Name:
NoneFormula:
C11H15O7N3Smiles:
Cc1cn([C@H]2O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=OAglycone:
Cc1c[nH]c(=O)[nH]c1=O.NC(=O)COSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.25 | Num_heavy_atoms: | 21 |
| TPSA: | 167.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD03871
Formula: C2H5O2N
Smiles:
NC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
