Glycoside
GD096584
Name:
NoneFormula:
C14H23O8N3S3Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2nccnc2C2SCCCS2)[C@H]1OAglycone:
COS(O)(O)O.Nc1nccnc1C1SCCCS1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.55 | Num_heavy_atoms: | 28 |
| TPSA: | 177.65 | 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 |
AD41067
Formula: C8H11N3S2
Smiles:
Nc1nccnc1C1SCCCS1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.33 | Num_heavy_atoms: | 13 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
