Glycoside
GD156342
Name:
2-(4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetonitrileFormula:
C22H28O11N2Smiles:
N#CCc1c[nH]c2cccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c12Aglycone:
N#CCc1c[nH]c2cccc(O)c12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 218.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD61915
Formula: C10H8ON2
Smiles:
N#CCc1c[nH]c2cccc(O)c12| 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 |
