Glycoside
GD155199
Name:
2-{2-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxyoxolan-2-yl)oxy]-3-hydroxy-3-(4-hydroxyphenyl)prop-2-enoyl}-3,5-dihydroxyphenyl acetateFormula:
C26H28O15Smiles:
CC(=O)Oc1cc(O)cc(O)c1C(=O)C(OC1OCC(O)C1OC1OC(CO)C(O)C1O)=C(O)c1ccc(O)cc1Aglycone:
CC(=O)Oc1cc(O)cc(O)c1C(=O)C(O)=C(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(O)COC2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 242.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD61574
Formula: C17H14O8
Smiles:
CC(=O)Oc1cc(O)cc(O)c1C(=O)C(O)=C(O)c1ccc(O)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
