Glycoside
GD142408
Name:
6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C28H34O16Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(COC2OCC(O)C(O)C2O)OC(OCC(O)c2ccc(O)c(O)c2)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCC(O)c1ccc(O)c(O)c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 265.52 | 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 |
AD44929
Formula: C8H10O4
Smiles:
OCC(O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
