Glycoside
GD150342
Name:
4-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C39H52O21Smiles:
COc1ccc(CCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(OC(C)=O)C(O)C3O)C2O)cc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1ccc(CCO)cc1OSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)C(O)OC(COC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 16 |
| MolWt: | 856.82 | Num_heavy_atoms: | 60 |
| TPSA: | 308.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD01182
Formula: C9H12O3
Smiles:
COc1ccc(CCO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
