Glycoside
GD118245
Name:
2-({4-[2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)oxolan-3-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H40O14Smiles:
COc1cc(C(O)CC2COC(c3cc(OC)c(O)c(OC)c3)C2COC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C(O)CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 612.63 | Num_heavy_atoms: | 43 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD47259
Formula: C23H30O9
Smiles:
COc1cc(C(O)CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 450.48 | Num_heavy_atoms: | 32 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
