Glycoside
GD032232
Name:
NoneFormula:
C13H22O15N3P3Smiles:
O=c1nc(N2CCOCC2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1nc(N2CCOCC2)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.25 | Num_heavy_atoms: | 34 |
| TPSA: | 256.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD20693
Formula: C8H11O2N3
Smiles:
O=c1nc(N2CCOCC2)cc[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 181.2 | Num_heavy_atoms: | 13 |
| TPSA: | 58.22 | NumAromaticRings: | 1 |
