Glycoside
GD114577
Name:
6-hydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 2-methylbut-2-enoateFormula:
C20H28O11Smiles:
CC=C(C)C(=O)OC1C2OC2(C)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12OAglycone:
CC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.43 | Num_heavy_atoms: | 31 |
| TPSA: | 167.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD45144
Formula: C14H18O6
Smiles:
CC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.29 | Num_heavy_atoms: | 20 |
| TPSA: | 88.52 | NumAromaticRings: | 0 |
