Glycoside
GD002230
Name:
NoneFormula:
C32H36O7N4Smiles:
COCCOCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H]2O)c1NAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.COCCOCNC(=O)C1=C(N)[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 13 |
| MolWt: | 588.66 | Num_heavy_atoms: | 43 |
| TPSA: | 150.32 | NumAromaticRings: | 4 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD02150
Formula: C8H13O3N4
Smiles:
COCCOCNC(=O)C1=C(N)[N]C=N1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 213.22 | Num_heavy_atoms: | 15 |
| TPSA: | 100.04 | NumAromaticRings: | 0 |
