Glycoside
GD133788
Name:
5-chloro-4-hydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0â´,â¸]undecan-6-yl 3,4-dihydroxybenzoateFormula:
C23H27O13ClSmiles:
O=C(OC1C2CC3OCC(O)(C1Cl)C2C(OC1OC(CO)C(O)C(O)C1O)O3)c1ccc(O)c(O)c1Aglycone:
O=C(OC1C2CC3OCC(O)(C1Cl)C2C(O)O3)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.9 | Num_heavy_atoms: | 36 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD54131
Formula: C17H17O8Cl
Smiles:
O=C(OC1C2CC3OCC(O)(C1Cl)C2C(O)O3)c1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 372.76 | Num_heavy_atoms: | 25 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
