Glycoside
GD106996
Name:
NoneFormula:
C18H30O15N3P3Smiles:
O=c1nc(NOCCCc2ccccc2)ccn1[C@H]1O[C@@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.O=c1nc(NOCCCc2ccccc2)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 14 |
| MolWt: | 621.37 | Num_heavy_atoms: | 39 |
| TPSA: | 271.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
AD44254
Formula: C13H15O2N3
Smiles:
O=c1nc(NOCCCc2ccccc2)cc[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 245.28 | Num_heavy_atoms: | 18 |
| TPSA: | 67.01 | NumAromaticRings: | 2 |
