Glycoside
GD032086
Name:
[5-(acetyloxy)-6-{2,3-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy}-3,4-dihydroxyoxan-2-yl]methyl 3-phenylprop-2-enoateFormula:
C32H30O12Smiles:
CC(=O)O[C@@H]1[C@H](Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2O)O[C@H](COC(=O)C=Cc2ccccc2)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccccc1.O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 606.58 | Num_heavy_atoms: | 44 |
| TPSA: | 189.28 | 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 |
AD13415
Formula: C15H12O5
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
