Glycoside
GD117719
Name:
1-hydroxy-3-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3a,4,5,7a-tetrahydro-1H-indene-7-carboxylic acidFormula:
C17H24O10Smiles:
O=C(O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(O)C12Aglycone:
O=C(O)C1=CCC(O)C2C(CO)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.37 | Num_heavy_atoms: | 27 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD46973
Formula: C11H14O5
Smiles:
O=C(O)C1=CCC(O)C2C(CO)=CC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
