Glycoside
GD149368
Name:
4,5-dihydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0â´,â¸]undecan-6-yl 4-hydroxybenzoateFormula:
C22H28O13Smiles:
O=C(OC1C2CC3OCC(O)(C1O)C2C(OC1OC(CO)C(O)C(O)C1O)O3)c1ccc(O)cc1Aglycone:
O=C(OC1C2CC3OCC(O)(C1O)C2C(O)O3)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.45 | Num_heavy_atoms: | 35 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD59738
Formula: C16H18O8
Smiles:
O=C(OC1C2CC3OCC(O)(C1O)C2C(O)O3)c1ccc(O)cc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.31 | Num_heavy_atoms: | 24 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
