Glycoside
GD001957
Name:
NoneFormula:
C14H15O13N2P3Cl2Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Clc1cc2c(cc1Cl)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 559.08 | Num_heavy_atoms: | 32 |
| TPSA: | 227.33 | 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 |
AD01906
Formula: C9H3N2Cl2
Smiles:
Clc1cc2c(cc1Cl)N=C[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.02 | Num_heavy_atoms: | 11 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
