Glycoside
GD046753
Name:
NoneFormula:
C12H21O7N3Smiles:
Cn1c(NC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc(=O)n(C)c1=OAglycone:
CNc1cc(=O)n(C)c(=O)n1CSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 319.31 | Num_heavy_atoms: | 22 |
| TPSA: | 157.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD25409
Formula: C7H11O2N3
Smiles:
CNc1cc(=O)n(C)c(=O)n1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 56.03 | NumAromaticRings: | 1 |
