Glycoside
GD117660
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-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C36H38O16Smiles:
COc1cc(C=CC(=O)OCC2(O)COC(OC3C(Oc4ccc(C=CC(=O)c5ccc(O)cc5O)cc4)OC(CO)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 13 |
| MolWt: | 726.68 | Num_heavy_atoms: | 52 |
| TPSA: | 251.36 | 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 |
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 |
