Glycoside
GD033560
Name:
NoneFormula:
C22H25O3N5SSmiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(NCC(S)=NC4CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
SC(CNc1ncnc2c1C(c1ccccc1)=C[N]2)=NC1CC1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.54 | Num_heavy_atoms: | 31 |
| TPSA: | 104.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD21408
Formula: C17H16N5S
Smiles:
SC(CNc1ncnc2c1C(c1ccccc1)=C[N]2)=NC1CC1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 322.42 | Num_heavy_atoms: | 23 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
