Glycoside
GD143233
Name:
3-hydroxy-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:
C28H36O13Smiles:
COc1cc(CC2(O)C(=O)OCC2Cc2cc(OC)c(OC)c(OC)c2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CC2(O)C(=O)OCC2Cc2cc(OC)c(OC)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.58 | Num_heavy_atoms: | 41 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD57617
Formula: C22H26O8
Smiles:
COc1cc(CC2(O)C(=O)OCC2Cc2cc(OC)c(OC)c(OC)c2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
