Glycoside
GD014404
Name:
NoneFormula:
C31H34O5N4Smiles:
CCCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H]2O)c1NAglycone:
CCCNC(=O)C1=C(N)[N]C=N1.COC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 542.64 | Num_heavy_atoms: | 40 |
| TPSA: | 131.86 | 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 |
AD10595
Formula: C7H11ON4
Smiles:
CCCNC(=O)C1=C(N)[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 167.19 | Num_heavy_atoms: | 12 |
| TPSA: | 81.58 | NumAromaticRings: | 0 |
