Glycoside
GD145614
Name:
2-[2-(5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propoxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C27H42O12Smiles:
COc1c(C)cc2c(c1O)C(C)CCC2C(C)COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1c(C)cc2c(c1O)C(C)CCC2C(C)COSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.62 | Num_heavy_atoms: | 39 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD58433
Formula: C16H24O3
Smiles:
COc1c(C)cc2c(c1O)C(C)CCC2C(C)CO| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.36 | Num_heavy_atoms: | 19 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
