Glycoside
GD033701
Name:
NoneFormula:
C55H60O8N6Smiles:
C=CCc1ccccc1OCCn1cc(COC[C@@H]2O[C@H](OCc3cn(CCOc4ccccc4CC=C)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1Aglycone:
C=CCc1ccccc1OCCn1cc(CO)nn1.C=CCc1ccccc1OCCn1cc(COC)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 8.7 | Num_rotatable_bonds: | 28 |
| MolWt: | 933.12 | Num_heavy_atoms: | 69 |
| TPSA: | 135.26 | NumAromaticRings: | 7 |
Unique Aglycone
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 |
AD21491
Formula: C14H17O2N3
Smiles:
C=CCc1ccccc1OCCn1cc(CO)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 259.31 | Num_heavy_atoms: | 19 |
| TPSA: | 60.17 | NumAromaticRings: | 2 |
AD21492
Formula: C15H19O2N3
Smiles:
C=CCc1ccccc1OCCn1cc(COC)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 273.34 | Num_heavy_atoms: | 20 |
| TPSA: | 49.17 | NumAromaticRings: | 2 |
