Glycoside
GD006123
Name:
NoneFormula:
C16H17O17N3P3Smiles:
O=c1nc(OCc2ccccc2[N+](=O)[O-])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(OCc2ccccc2[N+](=O)[O-])cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 616.24 | Num_heavy_atoms: | 39 |
| TPSA: | 305.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD02973
Formula: CH4O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O| HBA: | 10 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 268.95 | Num_heavy_atoms: | 14 |
| TPSA: | 168.31 | NumAromaticRings: | 0 |
AD05095
Formula: C11H9O4N3
Smiles:
O=c1nc(OCc2ccccc2[N+](=O)[O-])cc[nH]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.21 | Num_heavy_atoms: | 18 |
| TPSA: | 98.12 | NumAromaticRings: | 2 |
