Glycoside
GD025236
Name:
NoneFormula:
C34H33O12N2ClSmiles:
COc1cc(C=CC(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@H](OC(=O)c5ccc(C)[nH]5)[C@H]4O)c(Cl)c3oc2=O)ccc1OAglycone:
COc1cc(C=CC(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O.Cc1ccc(C(=O)O)[nH]1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 685.08 | Num_heavy_atoms: | 48 |
| TPSA: | 199.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD00152
Formula: C6H7O2N
Smiles:
Cc1ccc(C(=O)O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD16757
Formula: C20H14O7NCl
Smiles:
COc1cc(C=CC(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.05 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 403.77 | Num_heavy_atoms: | 28 |
| TPSA: | 129.23 | NumAromaticRings: | 3 |
