Glycoside
GD001694
Name:
NoneFormula:
C29H33O10N6PSmiles:
[N-]=[N+]=N[C@@]1(COP(=O)(N[C@H](C(=O)OCc2ccccc2)C2CCCC2)Oc2ccccc2)O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(NC(C(=O)OCc1ccccc1)C1CCCC1)Oc1ccccc1.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: | 0.41 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 656.59 | Num_heavy_atoms: | 46 |
| TPSA: | 227.17 | NumAromaticRings: | 3 |
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 |
AD01672
Formula: C21H26O5NP
Smiles:
COP(=O)(NC(C(=O)OCc1ccccc1)C1CCCC1)Oc1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 403.42 | Num_heavy_atoms: | 28 |
| TPSA: | 73.86 | NumAromaticRings: | 2 |
