Glycoside
GD150487
Name:
NoneFormula:
C16H24O10N3Smiles:
CC(=O)OC1C(COC(C)=[O+])OC(OCCN=N[NH-])C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=[OH+].[NH-]N=NCCOSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 418.38 | Num_heavy_atoms: | 29 |
| TPSA: | 175.01 | 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 |
AD60107
Formula: C2H6ON3
Smiles:
[NH-]N=NCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.09 | Num_heavy_atoms: | 6 |
| TPSA: | 68.75 | NumAromaticRings: | 0 |
