Glycoside
GD033241
Name:
NoneFormula:
C18H26O6N2Smiles:
CCCCCCC#Cc1c(C)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCCCC#Cc1c(C)[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.41 | Num_heavy_atoms: | 26 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD21236
Formula: C13H18O2N2
Smiles:
CCCCCCC#Cc1c(C)[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
