Glycoside
GD020602
Name:
NoneFormula:
C13H16O6N2Smiles:
CCC#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCC#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD00257
Formula: C8H8O2N2
Smiles:
CCC#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
