Glycoside
GD024499
Name:
NoneFormula:
C41H47O8N3Smiles:
C[C@H](O)[C@H](CO)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1Aglycone:
CC(O)C(CO)n1cc(CO)nn1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 5.41 | Num_rotatable_bonds: | 19 |
| MolWt: | 709.84 | Num_heavy_atoms: | 52 |
| TPSA: | 126.55 | 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 |
AD16341
Formula: C7H13O3N3
Smiles:
CC(O)C(CO)n1cc(CO)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 187.2 | Num_heavy_atoms: | 13 |
| TPSA: | 91.4 | NumAromaticRings: | 1 |
