Glycoside
GD136509
Name:
{6-[cyano(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetateFormula:
C16H19O8NSmiles:
CC(=O)OCC1OC(OC(C#N)c2cccc(O)c2)C(O)C(O)C1OAglycone:
COC(C)=O.N#CC(O)c1cccc(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.33 | Num_heavy_atoms: | 25 |
| TPSA: | 149.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD52915
Formula: C8H7O2N
Smiles:
N#CC(O)c1cccc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
