Glycoside
GD157703
Name:
2-{[3-(3,4-dihydroxyphenyl)prop-1-en-1-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 2-methylbut-2-enoateFormula:
C20H26O9Smiles:
CC=C(C)C(=O)OC1C(O)C(CO)OC(OC=CCc2ccc(O)c(O)c2)C1OAglycone:
CC=C(C)C(=O)O.OC=CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.42 | Num_heavy_atoms: | 29 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD56663
Formula: C9H10O3
Smiles:
OC=CCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
