Glycoside
GD036370
Name:
(3,4,5-trihydroxy-6-{[2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy}oxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C36H42O14Smiles:
COc1cc(C=CC(=O)OC[C@@H]2OC(OC[C@H]3[C@H](Cc4ccc(O)c(OC)c4)CO[C@H]3c3ccc(O)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 13 |
| MolWt: | 698.72 | Num_heavy_atoms: | 50 |
| TPSA: | 203.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | 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 |
