Glycoside
GD150860
Name:
3-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-oneFormula:
C25H30O12Smiles:
COc1cc(CC2COC(=O)C2(O)Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)ccc1OAglycone:
COc1cc(CC2COC(=O)C2(O)Cc2ccc(O)c(O)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD60219
Formula: C19H20O7
Smiles:
COc1cc(CC2COC(=O)C2(O)Cc2ccc(O)c(O)c2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
