Glycoside
GD029885
Name:
NoneFormula:
C22H30O9N6P2Smiles:
O=P(O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)nc(N4CCCC4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(N3CCCC3)nc2NCc2ccccc2)[N]1.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 584.46 | Num_heavy_atoms: | 39 |
| TPSA: | 212.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD19387
Formula: C16H17N6
Smiles:
C1=Nc2c(nc(N3CCCC3)nc2NCc2ccccc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 293.35 | Num_heavy_atoms: | 22 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
