Glycoside
GD012796
Name:
Emindole Sb Beta-MannosideFormula:
C34H49O6NSmiles:
CC(C)=CCC[C@@]1(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]1CC[C@@H]1Cc3c([nH]c4ccccc34)[C@]12CAglycone:
CC(C)=CCCC1(C)C(O)CCC2(C)C1CCC1Cc3c([nH]c4ccccc34)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 567.77 | Num_heavy_atoms: | 41 |
| TPSA: | 115.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD09610
Formula: C28H39ON
Smiles:
CC(C)=CCCC1(C)C(O)CCC2(C)C1CCC1Cc3c([nH]c4ccccc34)C12C| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 6.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 405.63 | Num_heavy_atoms: | 30 |
| TPSA: | 36.02 | NumAromaticRings: | 2 |
