Glycoside
GD016946
Name:
NoneFormula:
C33H48O19N3PS2Smiles:
CCOP(=S)(NN1C(=O)CSC1=N[C@@H]1O[C@H](COC(C)=O)[C@H](O[C@@H]2O[C@H](CC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OCCAglycone:
CCOP(=S)(NN1C(=N)SCC1=O)OCC.COC(C)=OSugarmoiety:
CC(=O)CC1OC(OC2C(O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 18 |
| MolWt: | 885.86 | Num_heavy_atoms: | 58 |
| TPSA: | 265.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD12106
Formula: C7H14O3N3PS2
Smiles:
CCOP(=S)(NN1C(=N)SCC1=O)OCC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 283.32 | Num_heavy_atoms: | 16 |
| TPSA: | 74.65 | NumAromaticRings: | 0 |
