Glycoside
GD023418
Name:
NoneFormula:
C22H31O6N5Smiles:
CC1(C)C2CCC(C(=O)CCOc3nc(N)c4ncn(C5O[C@H](CO)[C@H](O)[C@H]5O)c4n3)C1C2Aglycone:
CC1(C)C2CCC(C(=O)CCOc3nc(N)c4c(n3)[N]C=N4)C1C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.52 | Num_heavy_atoms: | 33 |
| TPSA: | 165.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD15751
Formula: C17H22O2N5
Smiles:
CC1(C)C2CCC(C(=O)CCOc3nc(N)c4c(n3)[N]C=N4)C1C2| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.4 | Num_heavy_atoms: | 24 |
| TPSA: | 104.56 | NumAromaticRings: | 1 |
