Glycoside
GD024864
Name:
NoneFormula:
C46H68O13N2Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[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](CCN2C(=O)c3ccccc3C2=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2C(=O)c3ccccc3C2=O)CC(C)C(=O)C=CC(C)=CC1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 857.05 | Num_heavy_atoms: | 61 |
| TPSA: | 201.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD16553
Formula: C31H41O7N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2C(=O)c3ccccc3C2=O)CC(C)C(=O)C=CC(C)=CC1C| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 539.67 | Num_heavy_atoms: | 39 |
| TPSA: | 121.21 | NumAromaticRings: | 1 |
