Glycoside
GD020816
Name:
NoneFormula:
C17H26O7N5PSmiles:
COP(=O)(OC)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.COP(=O)(OC)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 443.4 | Num_heavy_atoms: | 30 |
| TPSA: | 150.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD02023
Formula: C3H9O4P
Smiles:
COP(=O)(OC)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 140.07 | Num_heavy_atoms: | 8 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
