Glycoside
GD012240
Name:
NoneFormula:
C15H20O14NP3Smiles:
Cc1ccc2ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)c2c1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Cc1ccc2cc[nH]c(=O)c2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.24 | Num_heavy_atoms: | 33 |
| 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 |
AD09244
Formula: C10H9ON
Smiles:
Cc1ccc2cc[nH]c(=O)c2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 32.86 | NumAromaticRings: | 2 |
