Glycoside
GD130118
Name:
2-(2,3-dihydroxypropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C18H24O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)C(CO)OC(OCC(O)CO)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCC(O)COSugarmoiety:
OCC(O)COC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.38 | Num_heavy_atoms: | 29 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
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 |
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
