Glycoside
GD155160
Name:
5-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2-{[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]oxy}-6-methyloxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C41H48O20Smiles:
COc1cc(C=CC(=O)OC2C(OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)OC(C)C(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1cc(C=CC(=O)O)ccc1O.OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.51 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 860.82 | Num_heavy_atoms: | 61 |
| TPSA: | 291.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD04913
Formula: C9H12O5
Smiles:
OCC12OC1C(O)C1C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
