Glycoside
GD071689
Name:
NoneFormula:
C17H25O6N4Smiles:
OC[C@H]1O[C@@H](n2ccc3c(NCC4(O)CCOCC4)[nH+]cnc32)[C@H](O)[C@@H]1OAglycone:
OC1(CNc2[nH+]cnc3c2C=C[N]3)CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.41 | Num_heavy_atoms: | 27 |
| TPSA: | 143.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD33669
Formula: C12H16O2N4
Smiles:
OC1(CNc2[nH+]cnc3c2C=C[N]3)CCOCC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.29 | Num_heavy_atoms: | 18 |
| TPSA: | 82.62 | NumAromaticRings: | 1 |
