Glycoside
GD146807
Name:
2-{[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H32O12Smiles:
COc1cc(C2Oc3cc(CCCO)cc(OC4OC(CO)C(O)C(O)C4O)c3OC2CO)ccc1OAglycone:
COc1cc(C2Oc3cc(CCCO)cc(O)c3OC2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD58840
Formula: C19H22O7
Smiles:
COc1cc(C2Oc3cc(CCCO)cc(O)c3OC2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
