Glycoside
GD023482
Name:
CITRUSOSIDE BFormula:
C36H48O15Smiles:
CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)CC[C@H](OC(=O)CC(C)(O)CC(=O)OC[C@@H]1O[C@H](OC(C)C)[C@H](O)[C@H](O)[C@H]1O)C(C)(C)OAglycone:
COC(=O)CC(C)(O)CC(=O)OC(CCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)OSugarmoiety:
CC(C)OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 16 |
| MolWt: | 720.77 | Num_heavy_atoms: | 51 |
| TPSA: | 224.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD15786
Formula: C28H34O10
Smiles:
COC(=O)CC(C)(O)CC(=O)OC(CCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 530.57 | Num_heavy_atoms: | 38 |
| TPSA: | 145.64 | NumAromaticRings: | 3 |
