Glycoside
GD035714
Name:
NoneFormula:
C33H33O9N3Smiles:
CC#C[C@H](CC(=O)OC(=O)[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1Aglycone:
CC#CC(CC(=O)OC=O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 615.64 | Num_heavy_atoms: | 45 |
| TPSA: | 172.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD22584
Formula: C28H25O4N3
Smiles:
CC#CC(CC(=O)OC=O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 467.53 | Num_heavy_atoms: | 35 |
| TPSA: | 82.79 | NumAromaticRings: | 4 |
