Glycoside
GD095168
Name:
NoneFormula:
C23H26O8N2SSmiles:
O=C(C(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
O=S1(=O)c2ccccc2C2(CCNC2)N1Cc1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.53 | Num_heavy_atoms: | 34 |
| TPSA: | 155.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD40632
Formula: C17H18O2N2S
Smiles:
O=S1(=O)c2ccccc2C2(CCNC2)N1Cc1ccccc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.41 | Num_heavy_atoms: | 22 |
| TPSA: | 49.41 | NumAromaticRings: | 2 |
