Glycoside
GD017602
Name:
NoneFormula:
C14H17O8N2PSSmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CCP(=O)(O)O)[C@H](O)[C@H]2O)cc1-c1cccs1Aglycone:
CCP(=O)(O)O.O=c1[nH]cc(-c2cccs2)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.34 | Num_heavy_atoms: | 26 |
| TPSA: | 162.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00498
Formula: C2H7O3P
Smiles:
CCP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.05 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD12545
Formula: C8H6O2N2S
Smiles:
O=c1[nH]cc(-c2cccs2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.21 | Num_heavy_atoms: | 13 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
