Glycoside
GD023399
Name:
NoneFormula:
C13H21O6N7SSmiles:
COCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
CNS(N)(=O)=O.COCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 403.42 | Num_heavy_atoms: | 27 |
| TPSA: | 186.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00669
Formula: CH6O2N2S
Smiles:
CNS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.14 | Num_heavy_atoms: | 6 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
AD14526
Formula: C8H10ON5
Smiles:
COCCNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 192.2 | Num_heavy_atoms: | 14 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
