Glycoside
GD128043
Name:
2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(4-hydroxyphenyl)acetonitrileFormula:
C20H27O12NSmiles:
N#CC(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)c1ccc(O)cc1Aglycone:
N#CC(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.43 | Num_heavy_atoms: | 33 |
| TPSA: | 222.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD10967
Formula: C8H7O2N
Smiles:
N#CC(O)c1ccc(O)cc1| 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 |
