Glycoside
GD031560
Name:
NoneFormula:
C20H29O7N5PClSmiles:
CCOP(=O)(OCC)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCOP(=O)(OC)OCC.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
CO.OC1OOC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.9 | Num_heavy_atoms: | 33 |
| TPSA: | 150.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00055
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD15766
Formula: C5H13O4P
Smiles:
CCOP(=O)(OC)OCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 168.13 | Num_heavy_atoms: | 10 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
