Glycoside
GD119086
Name:
4,5-dihydroxy-2-{3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C37H42O15Smiles:
COc1cc(C=Cc2ccc(O)cc2)cc(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)c1Aglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1cc(O)cc(C=Cc2ccc(O)cc2)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 726.73 | Num_heavy_atoms: | 52 |
| TPSA: | 223.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD02082
Formula: C15H14O3
Smiles:
COc1cc(O)cc(C=Cc2ccc(O)cc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
