Glycoside
GD117682
Name:
7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxybenzoateFormula:
C22H28O10Smiles:
CC1CC(OC(=O)c2ccc(O)cc2)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1CC(OC(=O)c2ccc(O)cc2)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD46958
Formula: C16H18O5
Smiles:
CC1CC(OC(=O)c2ccc(O)cc2)C2C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
