Glycoside
GD126215
Name:
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 8-hydroxy-6-(hydroxymethyl)-2-methylocta-2,6-dienoateFormula:
C25H36O13Smiles:
CC(=CCCC(=CCO)CO)C(=O)OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12Aglycone:
CC(=CCCC(=CCO)CO)C(=O)OC1C2C=COC(O)C2C2(CO)OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 544.55 | Num_heavy_atoms: | 38 |
| TPSA: | 208.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD51053
Formula: C19H26O8
Smiles:
CC(=CCCC(=CCO)CO)C(=O)OC1C2C=COC(O)C2C2(CO)OC12| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 128.98 | NumAromaticRings: | 0 |
