Glycoside
GD137163
Name:
NoneFormula:
C39H44O19N2Smiles:
CCC1=CC(C2CCC3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C3O)=CNC1NAglycone:
CCC1=CC(C2CCC3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1NSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.46 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 844.78 | Num_heavy_atoms: | 60 |
| TPSA: | 361.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD47136
Formula: C33H36O13N2
Smiles:
CCC1=CC(C2CCC3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1N| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.39 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 668.65 | Num_heavy_atoms: | 48 |
| TPSA: | 265.63 | NumAromaticRings: | 3 |
