Glycoside
GD003255
Name:
NoneFormula:
C28H34O10N6FPSmiles:
CCCCCCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2c(N=[N+]=[N-])c(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1O)Oc1cccc2ccccc12Aglycone:
CCCCCCOC(=O)C(C)NP(=O)(OC)Oc1cccc2ccccc12.[N-]=[N+]=Nc1[nH]c(=O)[nH]c(=O)c1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 664.58 | Num_heavy_atoms: | 46 |
| TPSA: | 227.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD00180
Formula: C4H2O2N5F
Smiles:
[N-]=[N+]=Nc1[nH]c(=O)[nH]c(=O)c1F| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.09 | Num_heavy_atoms: | 12 |
| TPSA: | 114.48 | NumAromaticRings: | 1 |
AD02966
Formula: C20H28O5NP
Smiles:
CCCCCCOC(=O)C(C)NP(=O)(OC)Oc1cccc2ccccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 393.42 | Num_heavy_atoms: | 27 |
| TPSA: | 73.86 | NumAromaticRings: | 2 |
