Glycoside
GD035014
Name:
NoneFormula:
C10H17O11N3P2Smiles:
CNc1nc(=O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CNC1=NC(=O)C=C[N]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.2 | Num_heavy_atoms: | 26 |
| TPSA: | 209.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD21307
Formula: C5H6ON3
Smiles:
CNC1=NC(=O)C=C[N]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.12 | Num_heavy_atoms: | 9 |
| TPSA: | 55.56 | NumAromaticRings: | 0 |
