Glycoside
GD098457
Name:
NoneFormula:
C20H30O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CCN(S(=O)(=O)c2ccccc2)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.53 | Num_heavy_atoms: | 31 |
| TPSA: | 145.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD41871
Formula: C14H20O4N2S
Smiles:
O=C(NCCO)C1CCN(S(=O)(=O)c2ccccc2)CC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 312.39 | Num_heavy_atoms: | 21 |
| TPSA: | 86.71 | NumAromaticRings: | 1 |
