Glycoside
GD023822
Name:
NoneFormula:
C13H19O8N4PSmiles:
COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@]1(C)OAglycone:
COP(=O)(O)O.COc1nc(N)nc2c1C=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.29 | Num_heavy_atoms: | 26 |
| TPSA: | 182.41 | NumAromaticRings: | 2 |
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 |
AD02286
Formula: C7H7ON4
Smiles:
COc1nc(N)nc2c1C=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 75.13 | NumAromaticRings: | 1 |
