Glycoside
GD117027
Name:
2,3-dihydroxy-5-(hydroxymethyl)-2,7-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-1-oneFormula:
C20H28O10Smiles:
Cc1c(CCOC2OC(CO)C(O)C(O)C2O)c(CO)cc2c1C(=O)C(C)(O)C2OAglycone:
Cc1c(CCO)c(CO)cc2c1C(=O)C(C)(O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.43 | Num_heavy_atoms: | 30 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD46588
Formula: C14H18O5
Smiles:
Cc1c(CCO)c(CO)cc2c1C(=O)C(C)(O)C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.29 | Num_heavy_atoms: | 19 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
