Glycoside
GD002852
Name:
NoneFormula:
C15H20O6N2Smiles:
CC(C)(C)C#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CC(C)(C)C#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 324.33 | Num_heavy_atoms: | 23 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD02670
Formula: C10H12O2N2
Smiles:
CC(C)(C)C#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.22 | Num_heavy_atoms: | 14 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
