Glycoside
GD003354
Name:
NoneFormula:
C17H17O8N4PSmiles:
C#Cc1c(C(N)=O)nnn1[C@@H]1O[C@H](COP2(=O)OCc3ccccc3O2)[C@H](O)[C@H]1OAglycone:
C#CC1=C(C(N)=O)N=N[N]1.COP1(=O)OCc2ccccc2O1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.32 | Num_heavy_atoms: | 30 |
| TPSA: | 168.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD03051
Formula: C5H3ON4
Smiles:
C#CC1=C(C(N)=O)N=N[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD03052
Formula: C8H9O4P
Smiles:
COP1(=O)OCc2ccccc2O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.13 | Num_heavy_atoms: | 13 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
