Glycoside
GD067418
Name:
NoneFormula:
C15H21O7N3Smiles:
C[C@@H](C#N)C(=O)N1CC2(CCN2C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1Aglycone:
CC(C#N)C(=O)N1CC2(CCN2C=O)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 355.35 | Num_heavy_atoms: | 25 |
| TPSA: | 154.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD32144
Formula: C10H13O2N3
Smiles:
CC(C#N)C(=O)N1CC2(CCN2C=O)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.7 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 64.41 | NumAromaticRings: | 0 |
