Glycoside
GD113789
Name:
NoneFormula:
C33H30O5N5ClSmiles:
O=CNc1nc(Cl)c2ncn([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)c2n1Aglycone:
COCc1ccccc1.O=CNc1nc(Cl)c2c(n1)[N]C=N2.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 13 |
| MolWt: | 600.08 | Num_heavy_atoms: | 43 |
| TPSA: | 109.62 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD44830
Formula: C7H3ON5Cl
Smiles:
O=CNc1nc(Cl)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.58 | Num_heavy_atoms: | 13 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
