Glycoside
GD019316
Name:
Cassiaoccidentalin BFormula:
C27H28O14Smiles:
C[C@@H]1O[C@@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)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)c(O)c4)cc(=O)c3c2O)C(O)C(=O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 576.51 | Num_heavy_atoms: | 41 |
| TPSA: | 236.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD13499
Formula: C21H18O10
Smiles:
CC1OC(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)C(=O)C1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.37 | Num_heavy_atoms: | 31 |
| TPSA: | 177.89 | NumAromaticRings: | 3 |
