Glycoside
GD054138
Name:
NoneFormula:
C14H21O7N3Smiles:
CC(C)n1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cnc1=OAglycone:
CC(C)n1cc(C(N)=O)cnc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 343.34 | Num_heavy_atoms: | 24 |
| TPSA: | 154.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD27595
Formula: C8H11O2N3
Smiles:
CC(C)n1cc(C(N)=O)cnc1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 77.98 | NumAromaticRings: | 1 |
