Glycoside
GD012493
Name:
CITRUSOSIDE DFormula:
C31H40O15Smiles:
CC(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@H]1OAglycone:
CC(O)(CC(=O)O)CC(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)OSugarmoiety:
CC(C)OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 13 |
| MolWt: | 652.65 | Num_heavy_atoms: | 46 |
| TPSA: | 224.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD09411
Formula: C22H24O10
Smiles:
CC(O)(CC(=O)O)CC(=O)OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 156.64 | NumAromaticRings: | 3 |
