Glycoside
GD017717
Name:
NoneFormula:
C39H33O9N3Smiles:
COc1cc([C@@H]2O[C@H](CN=[N+]=[N-])[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(OC)c2ccccc12Aglycone:
COc1ccc(OC)c2ccccc12.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 7.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 687.71 | Num_heavy_atoms: | 51 |
| TPSA: | 155.35 | NumAromaticRings: | 5 |
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 |
AD04773
Formula: C12H12O2
Smiles:
COc1ccc(OC)c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
