Glycoside
GD105787
Name:
NoneFormula:
C20H33O9N4SSmiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN2CC[NH+](C)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.C[NH+]1CCN(NC(N)=S)CC1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 505.57 | Num_heavy_atoms: | 34 |
| TPSA: | 146.17 | 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 |
AD44073
Formula: C6H15N4S
Smiles:
C[NH+]1CCN(NC(N)=S)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.28 | Num_heavy_atoms: | 11 |
| TPSA: | 45.73 | NumAromaticRings: | 0 |
