Glycoside
GD153687
Name:
2-{[1-hydroxy-5-(1-hydroxypropan-2-yl)-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C26H40O12Smiles:
Cc1cc2c(c(O)c1OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)C(C)CCC2C(C)COAglycone:
Cc1cc2c(c(O)c1O)C(C)CCC2C(C)COSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD61095
Formula: C15H22O3
Smiles:
Cc1cc2c(c(O)c1O)C(C)CCC2C(C)CO| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
