Glycoside
GD119686
Name:
5-(3,4-dihydroxyphenyl)-6-ethoxy-4,5-dihydroxy-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C29H36O15Smiles:
CCOC1OC(COC2OC(C)C(O)C(O)C2O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1(O)c1ccc(O)c(O)c1Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.Oc1ccccc1OSugarmoiety:
CCOC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 245.29 | 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 |
AD02518
Formula: C6H6O2
Smiles:
Oc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
