Glycoside
GD034488
Name:
NoneFormula:
C21H23O8N6ClSmiles:
COc1c(CO[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1CAglycone:
COc1c(CO)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.89 | Num_heavy_atoms: | 35 |
| TPSA: | 208.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD21921
Formula: C15H15O2N6Cl
Smiles:
COc1c(CO)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.77 | Num_heavy_atoms: | 23 |
| TPSA: | 111.97 | NumAromaticRings: | 3 |
