Glycoside
GD028064
Name:
NoneFormula:
C14H22O8N5PSmiles:
CCN(C)c1nc2c(c(=O)[nH]1)[n+](C)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
CCN(C)c1nc2c(c(=O)[nH]1)[N+](C)=C[N]2.COP(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.33 | Num_heavy_atoms: | 28 |
| TPSA: | 177.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD18373
Formula: C9H13ON5
Smiles:
CCN(C)c1nc2c(c(=O)[nH]1)[N+](C)=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 207.24 | Num_heavy_atoms: | 15 |
| TPSA: | 66.1 | NumAromaticRings: | 1 |
