Glycoside
GD157950
Name:
6-ethoxy-5-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C31H40O15Smiles:
CCOC1OC(CO)C(OC(=O)C=Cc2ccc(O)c(OC)c2)C(OC2OC(C)C(O)C(O)C2O)C1(O)c1ccc(O)c(OC)c1Aglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1ccccc1OSugarmoiety:
CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 652.65 | Num_heavy_atoms: | 46 |
| TPSA: | 223.29 | 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 |
AD16459
Formula: C7H8O2
Smiles:
COc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
