Glycoside
GD130960
Name:
NmnFormula:
C11H17O8N2PSmiles:
NC(=O)C1=CC=CN(C2OC(COP(=O)(O)O)C(O)C2O)C1Aglycone:
COP(=O)(O)O.NC(=O)C1=CC=CNC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.24 | Num_heavy_atoms: | 22 |
| TPSA: | 162.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24983
Formula: C6H8ON2
Smiles:
NC(=O)C1=CC=CNC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
