Glycoside
GD156800
Name:
methyl 2-hydroxy-1-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylateFormula:
C18H28O9Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2CAglycone:
COC(=O)C1=CCC(O)C2C1CC(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.41 | Num_heavy_atoms: | 27 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD62045
Formula: C12H18O4
Smiles:
COC(=O)C1=CCC(O)C2C1CC(O)C2C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.27 | Num_heavy_atoms: | 16 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
