Glycoside
GD037207
Name:
NoneFormula:
C14H18O6N2Smiles:
CCC#Cc1c(C)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCC#Cc1c(C)[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.31 | Num_heavy_atoms: | 22 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD23452
Formula: C9H10O2N2
Smiles:
CCC#Cc1c(C)[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
