Glycoside
GD131054
Name:
5-O-A-D-Glucopyranosyl-5-HydroxymelleinFormula:
C16H20O9Smiles:
CC1Cc2c(OC3OC(CO)C(O)C(O)C3O)ccc(O)c2C(=O)O1Aglycone:
CC1Cc2c(O)ccc(O)c2C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.33 | Num_heavy_atoms: | 25 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD53106
Formula: C10H10O4
Smiles:
CC1Cc2c(O)ccc(O)c2C(=O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
