Glycoside
GD129709
Name:
2-[(4-hydroxy-3,6-dimethyl-5,8-dihydronaphthalen-1-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C23H32O11Smiles:
CC1=CCc2c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)cc(C)c(O)c2C1Aglycone:
CC1=CCc2c(O)cc(C)c(O)c2C1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.5 | Num_heavy_atoms: | 34 |
| TPSA: | 178.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD32246
Formula: C12H14O2
Smiles:
CC1=CCc2c(O)cc(C)c(O)c2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.24 | Num_heavy_atoms: | 14 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
