Glycoside
GD081118
Name:
NoneFormula:
C15H20O9N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=c1[nH]c2ccc(S(=O)(=O)NCCO)cc2o1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.4 | Num_heavy_atoms: | 27 |
| TPSA: | 171.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD36577
Formula: C9H10O5N2S
Smiles:
O=c1[nH]c2ccc(S(=O)(=O)NCCO)cc2o1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.25 | Num_heavy_atoms: | 17 |
| TPSA: | 112.4 | NumAromaticRings: | 2 |
