Glycoside
GD020964
Name:
NoneFormula:
C9H13O11N2P2SBrSmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)S)[C@H](O)[C@H]2O)cc1BrAglycone:
COP(=O)(O)OP(=O)(O)S.O=c1[nH]cc(Br)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 499.12 | Num_heavy_atoms: | 26 |
| TPSA: | 197.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD04715
Formula: C4H3O2N2Br
Smiles:
O=c1[nH]cc(Br)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD13954
Formula: CH6O6P2S
Smiles:
COP(=O)(O)OP(=O)(O)S| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.07 | Num_heavy_atoms: | 10 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
