Glycoside
GD125453
Name:
[3,4,5-trihydroxy-6-(4-{[5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2-methoxyphenoxy)oxan-2-yl]methyl 3-phenylprop-2-enoateFormula:
C35H40O12Smiles:
COc1cc(C2OCC(Cc3ccc(OC4OC(COC(=O)C=Cc5ccccc5)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1OAglycone:
COC(=O)C=Cc1ccccc1.COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 12 |
| MolWt: | 652.69 | Num_heavy_atoms: | 47 |
| TPSA: | 173.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01249
Formula: C20H24O6
Smiles:
COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
