Glycoside
GD016933
Name:
NoneFormula:
C37H35O10NSmiles:
COc1ccc(OC)c([C@@H]2O[C@H](CNC(=O)c3ccccc3)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1Aglycone:
CNC(=O)c1ccccc1.COc1ccc(OC)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 653.68 | Num_heavy_atoms: | 48 |
| TPSA: | 135.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD06890
Formula: C8H10O2
Smiles:
COc1ccc(OC)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
