Glycoside
GD027293
Name:
BOMBAMALOSIDEFormula:
C21H22O11Smiles:
CC1=C2OC(C)(C)c3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(C(=O)O)c(c32)C(=O)C1=OAglycone:
CC1=C2OC(C)(C)c3cc(O)c(C(=O)O)c(c32)C(=O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD17953
Formula: C15H12O6
Smiles:
CC1=C2OC(C)(C)c3cc(O)c(C(=O)O)c(c32)C(=O)C1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 100.9 | NumAromaticRings: | 1 |
