Glycoside
GD007953
Name:
NoneFormula:
C19H25O5N5SSmiles:
Nc1ccn([C@@H]2O[C@H](CNC(=O)[C@H](N)CSCc3ccccc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC(=O)C(N)CSCc1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 435.51 | Num_heavy_atoms: | 30 |
| TPSA: | 165.72 | NumAromaticRings: | 2 |
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 |
AD06411
Formula: C11H16ON2S
Smiles:
CNC(=O)C(N)CSCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.33 | Num_heavy_atoms: | 15 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
