Glycoside
GD024642
Name:
NoneFormula:
C38H63O14NSmiles:
CCC(=O)O[C@@H]1C=CC=CC[C@H](C)OC(=O)C[C@H](O)[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H]1CAglycone:
CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(O)C(OC)C(O)C(CC=O)CC1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 757.92 | Num_heavy_atoms: | 53 |
| TPSA: | 199.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD11063
Formula: C23H36O8
Smiles:
CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(O)C(OC)C(O)C(CC=O)CC1C| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.53 | Num_heavy_atoms: | 31 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
