Glycoside
GD091331
Name:
NoneFormula:
C18H21O8N2ClSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)NCCO)cc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.88 | Num_heavy_atoms: | 29 |
| TPSA: | 158.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD39843
Formula: C12H11O4N2ClS
Smiles:
O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)NCCO)cc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.74 | Num_heavy_atoms: | 19 |
| TPSA: | 99.26 | NumAromaticRings: | 2 |
