Glycoside
GD010721
Name:
NoneFormula:
C32H32O6N6Smiles:
COc1cccc(CC(=O)NC[C@@H]2O[C@H](n3cnc4c(NCc5ccc(Oc6ccccc6)cc5)ncnc43)[C@H](O)[C@H]2O)c1Aglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CNC(=O)Cc1cccc(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 596.64 | Num_heavy_atoms: | 44 |
| TPSA: | 152.88 | NumAromaticRings: | 5 |
Unique Aglycone
AD00191
Formula: C18H14ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.34 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
AD08238
Formula: C10H13O2N
Smiles:
CNC(=O)Cc1cccc(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
