Glycoside
GD069905
Name:
NoneFormula:
C16H21O5N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=S)Nc2ccc(C#N)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc(NC(=S)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.43 | Num_heavy_atoms: | 25 |
| TPSA: | 127.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD33113
Formula: C10H11ON3S
Smiles:
N#Cc1ccc(NC(=S)NCCO)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 221.28 | Num_heavy_atoms: | 15 |
| TPSA: | 68.08 | NumAromaticRings: | 1 |
