Glycoside
GD022402
Name:
NoneFormula:
C15H19O14NFP3SSmiles:
CSc1cc2ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)c2cc1FAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.CSc1cc2cc[nH]c(=O)c2cc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 581.3 | Num_heavy_atoms: | 35 |
| TPSA: | 231.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD15190
Formula: C10H8ONFS
Smiles:
CSc1cc2cc[nH]c(=O)c2cc1F| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 209.24 | Num_heavy_atoms: | 14 |
| TPSA: | 32.86 | NumAromaticRings: | 2 |
