Glycoside
GD135623
Name:
6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dimethoxyphenyl)prop-2-enoateFormula:
C37H50O20Smiles:
COc1ccc(C=CC(=O)OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OCCc3ccc(O)c(O)c3)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1OCAglycone:
COc1ccc(C=CC(=O)O)cc1OC.OCCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(COC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 15 |
| MolWt: | 814.79 | Num_heavy_atoms: | 57 |
| TPSA: | 302.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD09650
Formula: C11H12O4
Smiles:
COc1ccc(C=CC(=O)O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
