Glycoside
GD085348
Name:
NoneFormula:
C21H25O7NSmiles:
O=C(N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1)OCc1ccccc1Aglycone:
NC(=O)OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 403.43 | Num_heavy_atoms: | 29 |
| TPSA: | 117.48 | 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 |
AD05503
Formula: C8H9O2N
Smiles:
NC(=O)OCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
