Glycoside
GD003286
Name:
NoneFormula:
C31H32O9N7PSmiles:
[N-]=[N+]=N[C@@]1(COP(=O)(N[C@H](Cc2ccccc2)C(=O)OCc2ccccc2)Oc2ccccc2)O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(NC(Cc1ccccc1)C(=O)OCc1ccccc1)Oc1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 14 |
| MolWt: | 677.61 | Num_heavy_atoms: | 48 |
| TPSA: | 233.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD02995
Formula: C23H24O5NP
Smiles:
COP(=O)(NC(Cc1ccccc1)C(=O)OCc1ccccc1)Oc1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 425.42 | Num_heavy_atoms: | 30 |
| TPSA: | 73.86 | NumAromaticRings: | 3 |
