Glycoside
GD026804
Name:
{5-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C35H36O15Smiles:
O=C(C=Cc1ccc(O)cc1)OC[C@]1(O)CO[C@H](O[C@@H]2[C@H](Oc3ccc(C=CC(=O)c4ccc(O)cc4O)cc3)O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 696.66 | Num_heavy_atoms: | 50 |
| TPSA: | 242.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD01876
Formula: C15H12O4
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
