Glycoside
GD119483
Name:
3-({4-hydroxy-3-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}methyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneFormula:
C26H32O11Smiles:
COc1cc(CC2COC(=O)C2Cc2cc(OC)c(O)c(C3OC(CO)C(O)C(O)C3O)c2)ccc1OAglycone:
COc1cc(CC2COC(=O)C2Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 175.37 | 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 |
