Glycoside
GD155679
Name:
(6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxy-2-methylidenebutanoateFormula:
C29H30O15Smiles:
C=C(C(=O)OCC1OC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O)C(O)COC(=O)C=Cc1ccc(O)c(O)c1Aglycone:
C=C(C(=O)OC)C(O)COC(=O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 11 |
| MolWt: | 618.54 | Num_heavy_atoms: | 44 |
| TPSA: | 249.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD61727
Formula: C15H16O7
Smiles:
C=C(C(=O)OC)C(O)COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
