Glycoside
GD015923
Name:
NoneFormula:
C16H26O16N2P2Smiles:
O=c1ccn([C@@H]2C[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
O=c1ccn(C2CC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | -4.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.33 | Num_heavy_atoms: | 36 |
| TPSA: | 287.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD11517
Formula: C10H16O11N2P2
Smiles:
O=c1ccn(C2CC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.19 | Num_heavy_atoms: | 25 |
| TPSA: | 208.61 | NumAromaticRings: | 1 |
