Glycoside
GD019015
Name:
NoneFormula:
C13H22O17N3P3Smiles:
O=C(O)CCCON=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=C(O)CCCON=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 585.25 | Num_heavy_atoms: | 36 |
| TPSA: | 306.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD13324
Formula: C8H11O4N3
Smiles:
O=C(O)CCCON=c1cc[nH]c(=O)[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 213.19 | Num_heavy_atoms: | 15 |
| TPSA: | 107.54 | NumAromaticRings: | 1 |
