Glycoside
GD013928
Name:
BULBINELONESIDE EFormula:
C34H34O17Smiles:
CC(=O)c1c(O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[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(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 714.63 | Num_heavy_atoms: | 51 |
| TPSA: | 290.43 | 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 |
