Glycoside
GD118007
Name:
methyl 3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-({6,7,8-trihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-2-yl}methyl)-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C23H34O15Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1OCC2OC(O)C(O)C(O)C2O1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(O)C(O)C(O)C2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | -3.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.51 | Num_heavy_atoms: | 38 |
| TPSA: | 223.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD47122
Formula: C17H24O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(O)C(O)C(O)C2O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.37 | Num_heavy_atoms: | 27 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
