Glycoside
GD122819
Name:
(6-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-2-yl)methyl benzoateFormula:
C22H26O11Smiles:
O=C(OCC12C3OC4CC(O)(O3)C1CC42OC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(OCC12C3OC4CC(O)(O3)C1CC42O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD47465
Formula: C16H16O6
Smiles:
O=C(OCC12C3OC4CC(O)(O3)C1CC42O)c1ccccc1| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
