Glycoside
GD111181
Name:
NoneFormula:
C29H32O5N4Smiles:
NC1=NC(=O)N([C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)CN1Aglycone:
COCc1ccccc1.NC1=NC(=O)NCN1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 516.6 | Num_heavy_atoms: | 38 |
| TPSA: | 107.64 | NumAromaticRings: | 3 |
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 |
AD10760
Formula: C3H6ON4
Smiles:
NC1=NC(=O)NCN1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.11 | Num_heavy_atoms: | 8 |
| TPSA: | 79.51 | NumAromaticRings: | 0 |
