Glycoside
GD019634
Name:
NoneFormula:
C29H28O10N6FPSmiles:
C[C@H](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)Oc1cccc2ccccc12)C(=O)OCc1ccccc1Aglycone:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12.[N-]=[N+]=Nc1[nH]c(=O)[nH]c(=O)c1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 12 |
| MolWt: | 670.55 | Num_heavy_atoms: | 47 |
| TPSA: | 227.17 | NumAromaticRings: | 4 |
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 |
AD01728
Formula: C21H22O5NP
Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.38 | Num_heavy_atoms: | 28 |
| TPSA: | 73.86 | NumAromaticRings: | 3 |
