Glycoside
GD033461
Name:
NoneFormula:
C24H34O10N3PS2Smiles:
CCCOP(=S)(NNC(=S)N[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1Aglycone:
CCCOP(=S)(NNC(N)=S)c1ccccc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 619.66 | Num_heavy_atoms: | 40 |
| TPSA: | 159.75 | NumAromaticRings: | 1 |
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 |
AD21357
Formula: C10H16ON3PS2
Smiles:
CCCOP(=S)(NNC(N)=S)c1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 289.37 | Num_heavy_atoms: | 17 |
| TPSA: | 59.31 | NumAromaticRings: | 1 |
