Glycoside
GD134044
Name:
2-(5-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene)acetonitrileFormula:
C15H21O8NSmiles:
COC1C=CC(=CC#N)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
COC1C=CC(=CC#N)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 343.33 | Num_heavy_atoms: | 24 |
| TPSA: | 152.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD54231
Formula: C9H11O3N
Smiles:
COC1C=CC(=CC#N)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 73.48 | NumAromaticRings: | 0 |
