Glycoside
GD139536
Name:
6-(1,2-dihydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-inden-1-oneFormula:
C21H30O10Smiles:
Cc1cc2c(c(C)c1C(O)CO)C(=O)C(C)(CO)C2OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1cc2c(c(C)c1C(O)CO)C(=O)C(C)(CO)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.46 | Num_heavy_atoms: | 31 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD56267
Formula: C15H20O5
Smiles:
Cc1cc2c(c(C)c1C(O)CO)C(=O)C(C)(CO)C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.32 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
