Glycoside
GD004773
Name:
NoneFormula:
C29H29O10N6PSmiles:
C[C@H](NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1Aglycone:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 652.56 | Num_heavy_atoms: | 46 |
| TPSA: | 227.17 | NumAromaticRings: | 4 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | 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 |
