Glycoside
GD142411
Name:
Rheumone AFormula:
C21H22O9Smiles:
CC1=COC(=O)c2c(cc3cccc(OC4OC(CO)C(O)C(O)C4O)c3c2O)C1Aglycone:
CC1=COC(=O)c2c(cc3cccc(O)c3c2O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD57312
Formula: C15H12O4
Smiles:
CC1=COC(=O)c2c(cc3cccc(O)c3c2O)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
