Glycoside
GD002441
Name:
NoneFormula:
C32H32O8N4Smiles:
CCn1c(=O)c2c(no[n+]2[O-])n([C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1=OAglycone:
CCn1c(=O)[nH]c2no[n+]([O-])c2c1=O.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 12 |
| MolWt: | 600.63 | Num_heavy_atoms: | 44 |
| TPSA: | 133.89 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
AD01947
Formula: C6H6O4N4
Smiles:
CCn1c(=O)[nH]c2no[n+]([O-])c2c1=O| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.14 | Num_heavy_atoms: | 14 |
| TPSA: | 107.83 | NumAromaticRings: | 2 |
