Glycoside
GD011884
Name:
NoneFormula:
C31H48O18N3PS2Smiles:
CCOP(=S)(NNC(=S)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)(NNC(N)=S)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: | 21 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 18 |
| MolWt: | 845.84 | Num_heavy_atoms: | 55 |
| TPSA: | 257.11 | 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 |
AD09014
Formula: C5H14O2N3PS2
Smiles:
CCOP(=S)(NNC(N)=S)OCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 243.29 | Num_heavy_atoms: | 13 |
| TPSA: | 68.54 | NumAromaticRings: | 0 |
