Glycoside
GD033187
Name:
NoneFormula:
C39H28O9N3ClSmiles:
Cc1cc(=O)oc2cc(-c3cn([C@@H]4O[C@H](COC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@H]4OC(=O)c4ccccc4)nn3)c(Cl)cc12Aglycone:
COC(=O)c1ccccc1.Cc1cc(=O)oc2cc(C3=C[N]N=N3)c(Cl)cc12.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.16 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 706.11 | Num_heavy_atoms: | 51 |
| TPSA: | 149.05 | NumAromaticRings: | 6 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD21204
Formula: C13H7O2N3Cl
Smiles:
Cc1cc(=O)oc2cc(C3=C[N]N=N3)c(Cl)cc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.66 | Num_heavy_atoms: | 18 |
| TPSA: | 69.03 | NumAromaticRings: | 2 |
