Glycoside
GD030016
Name:
NoneFormula:
C28H37O12NSmiles:
O=C(COCc1ccccc1)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]1OCc1ccccc1Aglycone:
NC(=O)COCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 579.6 | Num_heavy_atoms: | 41 |
| TPSA: | 196.63 | NumAromaticRings: | 2 |
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 |
AD11597
Formula: C9H11O2N
Smiles:
NC(=O)COCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
