Glycoside
GD087657
Name:
NoneFormula:
C15H25O10N3SSmiles:
CCOC(=O)c1cnc(CC)nc1N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CCOC(=O)c1cnc(CC)nc1N.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 439.44 | Num_heavy_atoms: | 29 |
| TPSA: | 203.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD31668
Formula: C9H13O2N3
Smiles:
CCOC(=O)c1cnc(CC)nc1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 195.22 | Num_heavy_atoms: | 14 |
| TPSA: | 78.1 | NumAromaticRings: | 1 |
