Glycoside
GD002581
Name:
BULBINELONESIDE DFormula:
C29H26O13Smiles:
CC(=O)c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1OAglycone:
CC(=O)c1c(O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 582.51 | Num_heavy_atoms: | 42 |
| TPSA: | 231.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD02448
Formula: C23H16O8
Smiles:
CC(=O)c1c(O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.09 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.37 | Num_heavy_atoms: | 31 |
| TPSA: | 152.36 | NumAromaticRings: | 3 |
