Glycoside
GD016019
Name:
2-(6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetonitrileFormula:
C16H18O6N2Smiles:
N#CCc1c[nH]c2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12Aglycone:
N#CCc1c[nH]c2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.33 | Num_heavy_atoms: | 24 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD11581
Formula: C10H8ON2
Smiles:
N#CCc1c[nH]c2cc(O)ccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.19 | Num_heavy_atoms: | 13 |
| TPSA: | 59.81 | NumAromaticRings: | 2 |
