Glycoside
GD081138
Name:
NoneFormula:
C16H22O9N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C1COc2ccc(S(=O)(=O)NCCO)cc2N1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.42 | Num_heavy_atoms: | 28 |
| TPSA: | 163.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD36589
Formula: C10H12O5N2S
Smiles:
O=C1COc2ccc(S(=O)(=O)NCCO)cc2N1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.28 | Num_heavy_atoms: | 18 |
| TPSA: | 104.73 | NumAromaticRings: | 1 |
