Glycoside
GD028032
Name:
CirsimarinFormula:
C23H24O11Smiles:
COc1cc2oc(-c3ccc(OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OCAglycone:
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 168.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD08848
Formula: C17H14O6
Smiles:
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
