Glycoside
GD011237
Name:
NoneFormula:
C27H37O9N3S2Smiles:
CO[C@@H]1O[C@H](CNC(=S)NCCN([C@H](C(=O)O)C(C)C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=S)NCCN(C(C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 611.74 | Num_heavy_atoms: | 41 |
| TPSA: | 177.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD08612
Formula: C21H27O4N3S2
Smiles:
CNC(=S)NCCN(C(C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 449.6 | Num_heavy_atoms: | 30 |
| TPSA: | 98.74 | NumAromaticRings: | 2 |
