Glycoside
GD156448
Name:
{6-[4-(3,5-dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C31H30O13Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)cc1)C(O)C2=OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)C(O)C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.57 | Num_heavy_atoms: | 44 |
| TPSA: | 201.67 | 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 |
AD47679
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)C(O)C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
