Glycoside
GD028717
Name:
NoneFormula:
C14H22O6N4SSmiles:
CSCC[C@H](CO)NC(=O)[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CSCCC(CO)NC=O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 374.42 | Num_heavy_atoms: | 25 |
| TPSA: | 159.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD07873
Formula: C6H13O2NS
Smiles:
CSCCC(CO)NC=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
