Glycoside
GD005734
Name:
NoneFormula:
C12H18O8N5PSmiles:
CC[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
CC[N+]1=C[N]c2nc(N)[nH]c(=O)c21.COP(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.28 | Num_heavy_atoms: | 26 |
| TPSA: | 199.86 | 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 |
AD03422
Formula: C7H9ON5
Smiles:
CC[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.18 | Num_heavy_atoms: | 13 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
