Glycoside
GD079721
Name:
NoneFormula:
C16H21O10NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2sc(C(=O)O)c3c2OCCO3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(O)c1sc(C(=O)NCCO)c2c1OCCO2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.41 | Num_heavy_atoms: | 28 |
| TPSA: | 164.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD36390
Formula: C10H11O6NS
Smiles:
O=C(O)c1sc(C(=O)NCCO)c2c1OCCO2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 273.27 | Num_heavy_atoms: | 18 |
| TPSA: | 105.09 | NumAromaticRings: | 1 |
