Glycoside
GD156366
Name:
methyl 1,3-bis(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3a,4,5,7a-tetrahydro-1H-indene-7-carboxylateFormula:
C19H28O10Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(CO)C12Aglycone:
COC(=O)C1=CCC(O)C2C(CO)=CC(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.42 | Num_heavy_atoms: | 29 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD61922
Formula: C13H18O5
Smiles:
COC(=O)C1=CCC(O)C2C(CO)=CC(CO)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.28 | Num_heavy_atoms: | 18 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
