Glycoside
GD124780
Name:
7-hydroxy-2-(propan-2-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C18H24O9Smiles:
CC(C)C1CC(=O)c2c(cc(O)cc2OC2OC(CO)C(O)C(O)C2O)O1Aglycone:
CC(C)C1CC(=O)c2c(O)cc(O)cc2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.38 | Num_heavy_atoms: | 27 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD50430
Formula: C12H14O4
Smiles:
CC(C)C1CC(=O)c2c(O)cc(O)cc2O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
