Glycoside
GD105871
Name:
NoneFormula:
C17H32O15N2P2Smiles:
C[C@H]1[C@@H](O[PH](O)(O)O[PH](O)(O)OC[C@H]2C[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
O=c1ccn(C2CC(CO[PH](O)(O)O[PH](O)(O)O)C(O)C2O)c(=O)[nH]1Sugarmoiety:
CC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -4.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.39 | Num_heavy_atoms: | 36 |
| TPSA: | 273.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD44084
Formula: C10H20O11N2P2
Smiles:
O=c1ccn(C2CC(CO[PH](O)(O)O[PH](O)(O)O)C(O)C2O)c(=O)[nH]1| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -3.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.22 | Num_heavy_atoms: | 25 |
| TPSA: | 214.93 | NumAromaticRings: | 1 |
