Glycoside
GD118575
Name:
NoneFormula:
C37H37O19N2Smiles:
Nc1ccc(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)cn1Aglycone:
Nc1ccc(C2CCC3(Oc4cc5oc(-c6cc([O-])c(O)c(CCO)c6)cc(=[OH+])c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)cn1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.41 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 813.7 | Num_heavy_atoms: | 58 |
| TPSA: | 368.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD47429
Formula: C31H30O13N2
Smiles:
Nc1ccc(C2CCC3(Oc4cc5oc(-c6cc([O-])c(O)c(CCO)c6)cc(=[OH+])c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)cn1| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.32 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 638.58 | Num_heavy_atoms: | 46 |
| TPSA: | 273.65 | NumAromaticRings: | 4 |
