Glycoside
GD010280
Name:
NoneFormula:
C13H17O8N5PSmiles:
C=CC[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
C=CC[N+]1=C[N]c2nc(N)[nH]c(=O)c21.COP(=O)([O-])[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.28 | Num_heavy_atoms: | 27 |
| TPSA: | 202.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD01339
Formula: CH3O4P
Smiles:
COP(=O)([O-])[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 72.42 | NumAromaticRings: | 0 |
AD07966
Formula: C8H9ON5
Smiles:
C=CC[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.19 | Num_heavy_atoms: | 14 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
