Glycoside
GD124641
Name:
2-hydroxy-3-methyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)benzonitrileFormula:
C15H19O7NSmiles:
Cc1ccc(COC2OC(CO)C(O)C(O)C2O)c(C#N)c1OAglycone:
Cc1ccc(CO)c(C#N)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.32 | Num_heavy_atoms: | 23 |
| TPSA: | 143.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD50365
Formula: C9H9O2N
Smiles:
Cc1ccc(CO)c(C#N)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.18 | Num_heavy_atoms: | 12 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
