Glycoside
GD020224
Name:
NoneFormula:
C39H66O13NBrSmiles:
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](CCBr)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(CCBr)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: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 836.86 | Num_heavy_atoms: | 54 |
| TPSA: | 182.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD13998
Formula: C23H37O6Br
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCBr)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 489.45 | Num_heavy_atoms: | 30 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
