Glycoside
GD024804
Name:
CITRIFOLININ B EPIMER AFormula:
C17H22O12Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C2C1[C@@H]1O[C@H]1[C@]21O[C@H]1OAglycone:
COC(=O)C1=COC(O)C2C1C1OC1C21OC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.35 | Num_heavy_atoms: | 29 |
| TPSA: | 180.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD16520
Formula: C11H12O7
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C21OC1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.21 | Num_heavy_atoms: | 18 |
| TPSA: | 101.05 | NumAromaticRings: | 0 |
