Glycoside
GD113912
Name:
NoneFormula:
C41H39O9NSmiles:
O=C(O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1Aglycone:
COCc1ccccc1.O=C(O)c1ccc([N+](=O)[O-])cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 7.45 | Num_rotatable_bonds: | 16 |
| MolWt: | 689.76 | Num_heavy_atoms: | 51 |
| TPSA: | 115.59 | 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 |
AD04460
Formula: C7H5O4N
Smiles:
O=C(O)c1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.12 | Num_heavy_atoms: | 12 |
| TPSA: | 80.44 | NumAromaticRings: | 1 |
