Glycoside
GD029477
Name:
NoneFormula:
C20H34O18N5P3S3Smiles:
C=CS(=O)(=O)CCCCCCS(=O)(=O)CCSc1nc2c(O)nc(N)nc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
C=CS(=O)(=O)CCCCCCS(=O)(=O)CCSC1=Nc2c(O)nc(N)nc2[N]1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 20 |
| MolWt: | 821.63 | Num_heavy_atoms: | 49 |
| TPSA: | 367.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD19170
Formula: C15H22O5N5S3
Smiles:
C=CS(=O)(=O)CCCCCCS(=O)(=O)CCSC1=Nc2c(O)nc(N)nc2[N]1| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 448.57 | Num_heavy_atoms: | 28 |
| TPSA: | 166.77 | NumAromaticRings: | 1 |
