Glycoside
GD009826
Name:
2-{2,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxybutoxy}-6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C31H40O15Smiles:
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC[C@H](Cc3ccc4c(c3)OCO4)[C@H](CO)Cc3ccc4c(c3)OCO4)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
OCC(Cc1ccc2c(c1)OCO2)C(CO)Cc1ccc2c(c1)OCO2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 652.65 | Num_heavy_atoms: | 46 |
| TPSA: | 215.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD07676
Formula: C20H22O6
Smiles:
OCC(Cc1ccc2c(c1)OCO2)C(CO)Cc1ccc2c(c1)OCO2| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
