Glycoside
GD112147
Name:
NoneFormula:
C31H31O8NSmiles:
C=CCO[C@H]1[C@H](O)[C@@H](COCc2ccccc2)O[C@@H](Oc2ccc(OC)cc2)[C@@H]1N1C(=O)c2ccccc2C1=OAglycone:
COCc1ccccc1.COc1ccc(O)cc1.O=C1NC(=O)c2ccccc21Sugarmoiety:
C=CCOC1C(O)OOC(O)C1O.COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 545.59 | Num_heavy_atoms: | 40 |
| TPSA: | 103.76 | NumAromaticRings: | 3 |
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 |
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD03368
Formula: C8H5O2N
Smiles:
O=C1NC(=O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 147.13 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
