Glycoside
GD025564
Name:
NoneFormula:
C18H22O8N6SSmiles:
Nc1ccc(SC[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)nc1Aglycone:
Nc1ccc(SCC(N)C(=O)NCC(=O)O)nc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.48 | Num_heavy_atoms: | 33 |
| TPSA: | 235.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD16932
Formula: C10H14O3N4S
Smiles:
Nc1ccc(SCC(N)C(=O)NCC(=O)O)nc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 270.31 | Num_heavy_atoms: | 18 |
| TPSA: | 131.33 | NumAromaticRings: | 1 |
