Glycoside
GD001377
Name:
NoneFormula:
C52H84O14N2Smiles:
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](N(C)C)[C@H]2O)[C@H](CCOc2ccc(CN3CCCCCC3)cc2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccc(CN3CCCCCC3)cc2)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 15 |
| MolWt: | 961.24 | Num_heavy_atoms: | 68 |
| TPSA: | 195.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD01395
Formula: C36H55O7N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccc(CN3CCCCCC3)cc2)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 613.84 | Num_heavy_atoms: | 44 |
| TPSA: | 116.53 | NumAromaticRings: | 1 |
