Glycoside
GD150800
Name:
NoneFormula:
C44H47O20N3Smiles:
CCC1=CC(C2C=C(Cc3ccc[nH]3)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)(O)C(O)C2O)C(O)C(O)C3O)=CNC1NAglycone:
CCC1=CC(C2C=C(Cc3ccc[nH]3)C3(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)C1(O)OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.39 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 937.86 | Num_heavy_atoms: | 67 |
| TPSA: | 397.87 | NumAromaticRings: | 4 |
Unique Aglycone
AD51788
Formula: C38H39O13N3
Smiles:
CCC1=CC(C2C=C(Cc3ccc[nH]3)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1N| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.32 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 745.74 | Num_heavy_atoms: | 54 |
| TPSA: | 281.42 | NumAromaticRings: | 4 |
