Glycoside
GD022459
Name:
NoneFormula:
C19H39O11N5SSmiles:
CS(=O)(=O)CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1OAglycone:
CS(C)(=O)=O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -7.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 545.61 | Num_heavy_atoms: | 36 |
| TPSA: | 302.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD00116
Formula: C2H6O2S
Smiles:
CS(C)(=O)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.13 | Num_heavy_atoms: | 5 |
| TPSA: | 34.14 | NumAromaticRings: | 0 |
