Glycoside
GD107982
Name:
NoneFormula:
C33H43O17NSmiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](COC(C)=O)O[C@@H](Nc3ccc(C)cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.Cc1ccc(N)cc1Sugarmoiety:
CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 13 |
| MolWt: | 725.7 | Num_heavy_atoms: | 51 |
| TPSA: | 223.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10535
Formula: C7H9N
Smiles:
Cc1ccc(N)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 107.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
