Glycoside
GD016644
Name:
E3040 GLUCURONIDEFormula:
C22H25O7N3SSmiles:
CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(C)c2s1Aglycone:
CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 475.52 | Num_heavy_atoms: | 33 |
| TPSA: | 154.26 | NumAromaticRings: | 3 |
Unique Aglycone
AD11957
Formula: C16H17ON3S
Smiles:
CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.4 | Num_heavy_atoms: | 21 |
| TPSA: | 58.04 | NumAromaticRings: | 3 |
