Glycoside
GD010729
Name:
NoneFormula:
C23H22O8N4SSmiles:
COc1cccc2cc(CSc3nc4cncnc4n3[C@@H]3O[C@H](COC(C)=O)[C@H](O)[C@H]3O)c(=O)oc12Aglycone:
COC(C)=O.COc1cccc2cc(CSC3=Nc4cncnc4[N]3)c(=O)oc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.52 | Num_heavy_atoms: | 36 |
| TPSA: | 159.03 | NumAromaticRings: | 4 |
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 |
AD01565
Formula: C16H11O3N4S
Smiles:
COc1cccc2cc(CSC3=Nc4cncnc4[N]3)c(=O)oc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 339.36 | Num_heavy_atoms: | 24 |
| TPSA: | 91.68 | NumAromaticRings: | 3 |
