Glycoside
GD009028
Name:
NoneFormula:
C29H26O4N4Smiles:
O[C@@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](n2cnc3cncnc32)[C@H]1OAglycone:
C1=Nc2cncnc2[N]1.COC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.55 | Num_heavy_atoms: | 37 |
| TPSA: | 102.52 | NumAromaticRings: | 5 |
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 |
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
