Glycoside
GD061359
Name:
NoneFormula:
C14H20O6N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)/C=C/c2nccs2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(C=Cc1nccs1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.39 | Num_heavy_atoms: | 23 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD30106
Formula: C8H10O2N2S
Smiles:
O=C(C=Cc1nccs1)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.25 | Num_heavy_atoms: | 13 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
