Glycoside
GD020819
Name:
BULBINELONESIDE AFormula:
C30H28O13Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=OAglycone:
COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 596.54 | Num_heavy_atoms: | 43 |
| TPSA: | 220.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD14314
Formula: C24H18O8
Smiles:
COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.4 | Num_heavy_atoms: | 32 |
| TPSA: | 141.36 | NumAromaticRings: | 3 |
