Glycoside
GD133320
Name:
Bahienoside AFormula:
C44H58O18N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCN1CCc2c([nH]c3ccccc23)C1CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=CAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCN1CCc2c([nH]c3ccccc23)C1CC1C(C(=O)OC)=COC(O)C1C=CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 15 |
| MolWt: | 902.94 | Num_heavy_atoms: | 64 |
| TPSA: | 288.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD53965
Formula: C32H38O8N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCN1CCc2c([nH]c3ccccc23)C1CC1C(C(=O)OC)=COC(O)C1C=C| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.66 | Num_heavy_atoms: | 42 |
| TPSA: | 130.55 | NumAromaticRings: | 2 |
