Glycoside
GD031369
Name:
NoneFormula:
C16H23O8N5S2Smiles:
CC(C)C[C@H](S)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(S)CC(C)C.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.52 | Num_heavy_atoms: | 31 |
| TPSA: | 185.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD20219
Formula: C7H15O4NS2
Smiles:
COS(=O)(=O)NC(=O)C(S)CC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 241.33 | Num_heavy_atoms: | 14 |
| TPSA: | 72.47 | NumAromaticRings: | 0 |
