Glycoside
GD132756
Name:
2-[2-methoxy-5-(prop-1-en-1-yl)phenoxy]-6-{[(2,3,4-trihydroxycyclohexyl)oxy]methyl}oxane-3,4,5-triolFormula:
C22H32O10Smiles:
CC=Cc1ccc(OC)c(OC2OC(COC3CCC(O)C(O)C3O)C(O)C(O)C2O)c1Aglycone:
CC=Cc1ccc(OC)c(O)c1.COC1CCC(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.49 | Num_heavy_atoms: | 32 |
| TPSA: | 158.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD20005
Formula: C7H14O4
Smiles:
COC1CCC(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD52952
Formula: C10H12O2
Smiles:
CC=Cc1ccc(OC)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
