Glycoside
GD020927
Name:
NoneFormula:
C14H18O7N2Smiles:
C#CCn1c(=O)c(CO)cn([C@@H]2O[C@H](CO)[C@H](OC)[C@H]2O)c1=OAglycone:
C#CCn1c(=O)[nH]cc(CO)c1=OSugarmoiety:
COC1C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.31 | Num_heavy_atoms: | 23 |
| TPSA: | 123.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD14367
Formula: C8H8O3N2
Smiles:
C#CCn1c(=O)[nH]cc(CO)c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 75.09 | NumAromaticRings: | 1 |
