Glycoside
GD114075
Name:
NoneFormula:
C42H35O10NSmiles:
COc1ccc(/C=N/[C@@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O[C@@H]2OC(=O)c2ccccc2)cc1Aglycone:
COC(=O)c1ccccc1.COc1ccc(C=N)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 713.74 | Num_heavy_atoms: | 53 |
| TPSA: | 136.02 | NumAromaticRings: | 5 |
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 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD18804
Formula: C8H9ON
Smiles:
COc1ccc(C=N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 33.08 | NumAromaticRings: | 1 |
