Glycoside
GD139051
Name:
2-(4-{4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H38O13Smiles:
COc1cc(CC2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)cc(OC)c1OAglycone:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 582.6 | Num_heavy_atoms: | 41 |
| TPSA: | 185.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD10896
Formula: C22H28O8
Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
