Glycoside
GD148316
Name:
5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-carbonitrileFormula:
C17H21O9NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(C#N)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(C#N)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 383.35 | Num_heavy_atoms: | 27 |
| TPSA: | 158.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD59358
Formula: C11H11O4N
Smiles:
C=CC1C(O)OC=C2C(=O)OC(C#N)CC21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 221.21 | Num_heavy_atoms: | 16 |
| TPSA: | 79.55 | NumAromaticRings: | 0 |
