Glycoside
GD008764
Name:
Cassiaoccidentalin AFormula:
C27H28O13Smiles:
C[C@@H]1O[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C(=O)[C@H]1OAglycone:
CC1OC(c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)C(O)C(=O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 560.51 | Num_heavy_atoms: | 40 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD06956
Formula: C21H18O9
Smiles:
CC1OC(c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)C(O)C(=O)C1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 414.37 | Num_heavy_atoms: | 30 |
| TPSA: | 157.66 | NumAromaticRings: | 3 |
