Glycoside
GD007398
Name:
NoneFormula:
C25H33O13N5P2Smiles:
CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)OCCc4c(O)c5c(c(C)c4OC)COC5=O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCc1nc(N)c2c(n1)[N]C=N2.COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC)C(=O)OC2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 673.51 | Num_heavy_atoms: | 45 |
| 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 |
AD04985
Formula: C7H8N5
Smiles:
CCc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.18 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
