Glycoside
GD127836
Name:
3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-oneFormula:
C28H36O12Smiles:
COc1cc(CC2C(=O)OCC2Cc2cc(OC)c(OC)c(OC)c2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CC2C(=O)OCC2Cc2cc(OC)c(OC)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 11 |
| MolWt: | 564.58 | Num_heavy_atoms: | 40 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD51774
Formula: C22H26O7
Smiles:
COc1cc(CC2C(=O)OCC2Cc2cc(OC)c(OC)c(OC)c2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
