Glycoside
GD004028
Name:
NoneFormula:
C36H53O12N5SSmiles:
CNC(C)[C@@H]1CCC(N)[C@H](O[C@@H]2C(N)C[C@H](NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O[C@@H]3OC[C@@](C)(O)C(NC)[C@H]3O)[C@H]2O)O1Aglycone:
CNC(C)C1CCC(N)C(OC2C(N)CC(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.64 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 779.91 | Num_heavy_atoms: | 54 |
| TPSA: | 266.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD03573
Formula: C29H40O9N4S
Smiles:
CNC(C)C1CCC(N)C(OC2C(N)CC(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O)C2O)O1| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 620.73 | Num_heavy_atoms: | 43 |
| TPSA: | 215.69 | NumAromaticRings: | 2 |
