Glycoside
GD141762
Name:
DihydroscoparinFormula:
C22H24O11Smiles:
COc1cc(C2CC(=O)c3c(O)cc(O)c(C4OC(CO)C(O)C(O)C4O)c3O2)ccc1OAglycone:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD04775
Formula: C16H14O6
Smiles:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
