Glycoside
GD029688
Name:
NoneFormula:
C24H28O13N5F3P2Smiles:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n3cnc4c(N)nc(C(F)(F)F)nc43)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC)C(=O)OC2.Nc1nc(C(F)(F)F)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 713.45 | Num_heavy_atoms: | 47 |
| TPSA: | 268.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00057
Formula: C14H20O10P2
Smiles:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC)C(=O)OC2| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 410.25 | Num_heavy_atoms: | 26 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
AD14111
Formula: C6H3N5F3
Smiles:
Nc1nc(C(F)(F)F)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.12 | Num_heavy_atoms: | 14 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
