Glycoside
GD119988
Name:
4-({4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneFormula:
C31H40O15Smiles:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)c(OC)c2)ccc1OAglycone:
COc1cc(CC2COC(=O)C2Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 652.65 | Num_heavy_atoms: | 46 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD08036
Formula: C20H22O6
Smiles:
COc1cc(CC2COC(=O)C2Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
