Glycoside
GD118345
Name:
Cassiaoccidentalin CFormula:
C28H30O14Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(C4OC(C)C(O)C(=O)C4OC4OC(C)C(O)C(O)C4O)c(O)cc3o2)cc1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)c(C4OC(C)C(O)C(=O)C4O)c(O)cc3o2)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.53 | Num_heavy_atoms: | 42 |
| TPSA: | 225.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD47309
Formula: C22H20O10
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(C4OC(C)C(O)C(=O)C4O)c(O)cc3o2)cc1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 444.39 | Num_heavy_atoms: | 32 |
| TPSA: | 166.89 | NumAromaticRings: | 3 |
