Glycoside
GD139794
Name:
{3,3',4,5-tetrahydroxy-6'-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-2'-(hydroxymethyl)-5'-methoxy-[2,4'-bioxan]-6-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C38H40O16Smiles:
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(C2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)C1OCAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C1OC(CO)C(O)CC1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 752.72 | Num_heavy_atoms: | 54 |
| TPSA: | 255.27 | NumAromaticRings: | 4 |
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 |
AD56376
Formula: C23H24O9
Smiles:
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C1OC(CO)C(O)CC1OC| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.44 | Num_heavy_atoms: | 32 |
| TPSA: | 138.82 | NumAromaticRings: | 3 |
