Glycoside
GD140824
Name:
NoneFormula:
C18H29O9N4Smiles:
CC(=O)OC1C(COC(C)=[O+])OC(OCCCC[N-]N=N)C(N=C(C)O)C1OC(C)=OAglycone:
COC(C)=[OH+].N=N[N-]CCCCOSugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 12 |
| MolWt: | 445.45 | Num_heavy_atoms: | 31 |
| TPSA: | 183.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD45808
Formula: C3H7O2
Smiles:
COC(C)=[OH+]| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.09 | Num_heavy_atoms: | 5 |
| TPSA: | 30.63 | NumAromaticRings: | 0 |
AD56774
Formula: C4H10ON3
Smiles:
N=N[N-]CCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 116.14 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
