Glycoside
GD015112
Name:
NoneFormula:
C23H39O16N2S3Smiles:
CO[C@@H]1O[C@H](CNC(=O)CN(C(C)=O)C2CCCCCCCCCCC2)[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]Aglycone:
CNC(=O)CN(C(C)=O)C1CCCCCCCCCCC1.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 12 |
| MolWt: | 695.76 | Num_heavy_atoms: | 44 |
| TPSA: | 267.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
AD11022
Formula: C17H32O2N2
Smiles:
CNC(=O)CN(C(C)=O)C1CCCCCCCCCCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.46 | Num_heavy_atoms: | 21 |
| TPSA: | 49.41 | NumAromaticRings: | 0 |
