Glycoside
GD157571
Name:
3-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}but-3-enenitrileFormula:
C17H27O11NSmiles:
C=C(C)C(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
C=C(C)C(O)C#NSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 421.4 | Num_heavy_atoms: | 29 |
| TPSA: | 202.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD46243
Formula: C5H7ON
Smiles:
C=C(C)C(O)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
