Glycoside
GD110106
Name:
NoneFormula:
C28H27O10NSmiles:
COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccc2OC)c1Aglycone:
COc1cccc(C=O)c1.COc1cccc(C=O)c1.COc1ccccc1CNSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 537.52 | Num_heavy_atoms: | 39 |
| TPSA: | 146.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD44013
Formula: C8H8O2
Smiles:
COc1cccc(C=O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44025
Formula: C8H11ON
Smiles:
COc1ccccc1CN| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.18 | Num_heavy_atoms: | 10 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
