Glycoside
GD145794
Name:
2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl 3,4,5-trihydroxybenzoateFormula:
C18H21O11NSmiles:
N#CC(=CCOC1OC(CO)C(O)C(O)C1O)COC(=O)c1cc(O)c(O)c(O)c1Aglycone:
N#CC(=CCO)COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.36 | Num_heavy_atoms: | 30 |
| TPSA: | 210.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD58502
Formula: C12H11O6N
Smiles:
N#CC(=CCO)COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 265.22 | Num_heavy_atoms: | 19 |
| TPSA: | 131.01 | NumAromaticRings: | 1 |
