Glycoside
GD013941
Name:
2-{[5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H38O11Smiles:
COc1cc(CC[C@H](O)C[C@H](CCc2ccc(O)c(OC)c2)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 13 |
| MolWt: | 538.59 | Num_heavy_atoms: | 38 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD10335
Formula: C21H28O6
Smiles:
COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
