Glycoside
GD095079
Name:
NoneFormula:
C20H25O8N3SSmiles:
O=C(C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.5 | Num_heavy_atoms: | 32 |
| TPSA: | 168.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD40611
Formula: C14H17O2N3S
Smiles:
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.38 | Num_heavy_atoms: | 20 |
| TPSA: | 62.3 | NumAromaticRings: | 2 |
