Glycoside
GD131637
Name:
NoneFormula:
C35H36O19N2Smiles:
N=c1ccc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)c[nH]1Aglycone:
N=c1ccc(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)c[nH]1Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.37 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 788.67 | Num_heavy_atoms: | 56 |
| TPSA: | 363.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD50843
Formula: C23H20O7N2
Smiles:
N=c1ccc(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)c[nH]1| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.42 | Num_heavy_atoms: | 32 |
| TPSA: | 171.0 | NumAromaticRings: | 4 |
