Glycoside
GD028197
Name:
NoneFormula:
C15H25O15N3P2Smiles:
N=c1ccn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]1Aglycone:
N=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 549.32 | Num_heavy_atoms: | 35 |
| TPSA: | 283.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD18456
Formula: C9H15O10N3P2
Smiles:
N=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.18 | Num_heavy_atoms: | 24 |
| TPSA: | 204.39 | NumAromaticRings: | 1 |
