Glycoside
GD026007
Name:
NoneFormula:
C34H36O13N2SSmiles:
COC1C(O[C@@H]2c3c(cc4c(c3O)C(=O)c3c(O)cccc3C4=O)C(N=NS(=O)(=O)c3ccc(C)cc3)[C@@](C)(O)[C@H]2OC)OC(C)C(O)C1OAglycone:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(N=NS(=O)(=O)c2ccc(C)cc2)C1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 712.73 | Num_heavy_atoms: | 50 |
| TPSA: | 231.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD17178
Formula: C27H24O9N2S
Smiles:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(N=NS(=O)(=O)c2ccc(C)cc2)C1(C)O| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 552.56 | Num_heavy_atoms: | 39 |
| TPSA: | 183.15 | NumAromaticRings: | 3 |
