Glycoside
GD003819
Name:
NoneFormula:
C28H40O9N6SSmiles:
COc1ccccc1OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COc1ccccc1OCCCCCCCCCCC(=O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 18 |
| MolWt: | 636.73 | Num_heavy_atoms: | 44 |
| TPSA: | 210.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03413
Formula: C19H31O6NS
Smiles:
COc1ccccc1OCCCCCCCCCCC(=O)NS(=O)(=O)OC| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 15 |
| MolWt: | 401.53 | Num_heavy_atoms: | 27 |
| TPSA: | 90.93 | NumAromaticRings: | 1 |
