Glycoside
GD012638
Name:
(10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H38O16Smiles:
CC1OC(O[C@@H]2C3C=CO[C@H](OC4OC(CO)C(O)C(O)C4O)C3[C@]3(COC(=O)C=Cc4ccc(O)cc4)O[C@H]23)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)cc1)OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.62 | Num_heavy_atoms: | 46 |
| TPSA: | 246.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD09512
Formula: C18H18O7
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC12OC1C(O)C1C=COC(O)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
