Glycoside
GD153755
Name:
phenyl[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]carbonyl cyanideFormula:
C20H26O11NSmiles:
N#CC([O])(c1ccccc1)C1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
N#CC(O)c1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.42 | Num_heavy_atoms: | 32 |
| TPSA: | 212.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
